((5S,8S,11S)-8,11-diisopropyl-5-(methoxycarbonyl)-7,10,13-trioxo-2-thia-6,9,12-triazapentadecan-15-yl)((2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl)phosphinic acid
TL;DR: ((5S,8S,11S)-8,11-diisopropyl-5-(methoxycarbonyl)-7,10,13-trioxo-2-thia-6,9,12-triazapentadecan-15-yl)((2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl)phosphinic acid (CAS 167467-53-0) is a chemical compound with molecular formula C34H60N3O7PS and molecular weight 685.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-[[(2S)-1-[[(2S)-1-[[(2S)-1-methoxy-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropyl]-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]phosphinic acid
Also Known As: ((5S,8S,11S)-8,11-diisopropyl-5-(methoxycarbonyl)-7,10,13-trioxo-2-thia-6,9,12-triazapentadecan-15-yl)((2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl)phosphinic acid, (2-{[(1S)-1-{[(1S)-1-{[(2S)-1-methoxy-4-(methylsulfanyl)-1-oxobutan-2-yl]carbamoyl}-2-methylpropyl]carbamoyl}-2-methylpropyl]carbamoyl}ethyl)[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]phosphinic acid, [3-[[(2S)-1-[[(2S)-1-[[(2S)-1-methoxy-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropyl]-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]phosphinic acid, N-[3-[Hydroxy[(2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrienyl]phosphinyl]propanoyl]-L-Val-L-Val-L-Met-OMe
| Molecular Formula | C34H60N3O7PS |
|---|---|
| Molecular Weight | 685.39 g/mol |
| LogP | 5.7586 |
| Topological Polar Surface Area | 150.9 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 22 |
| Exact Mass | 685.389 |
| Heavy Atoms | 46 |
| Complexity | 1129.7759 |
Chemical Identifiers
| CAS Number | 167467-53-0 |
|---|---|
| SMILES | CC(C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCSC)C(=O)OC)NC(=O)CCP(=O)(C/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)O |
Product Overview
((5S,8S,11S)-8,11-diisopropyl-5-(methoxycarbonyl)-7,10,13-trioxo-2-thia-6,9,12-triazapentadecan-15-yl)((2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl)phosphinic acid (CAS 167467-53-0), with molecular formula C34H60N3O7PS and molecular weight 685.39 g/mol. IUPAC: [3-[[(2S)-1-[[(2S)-1-[[(2S)-1-methoxy-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropyl]-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]phosphinic acid.
Chemical Property Profile of ((5S,8S,11S)-8,11-diisopropyl-5-(methoxycarbonyl)-7,10,13-trioxo-2-thia-6,9,12-triazapentadecan-15-yl)((2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl)phosphinic acid
Property Insights of ((5S,8S,11S)-8,11-diisopropyl-5-(methoxycarbonyl)-7,10,13-trioxo-2-thia-6,9,12-triazapentadecan-15-yl)((2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl)phosphinic acid
The XLogP value of 5.7586 indicates that ((5S,8S,11S)-8,11-diisopropyl-5-(methoxycarbonyl)-7,10,13-trioxo-2-thia-6,9,12-triazapentadecan-15-yl)((2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl)phosphinic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 150.9 Ų indicates high polarity, suggesting ((5S,8S,11S)-8,11-diisopropyl-5-(methoxycarbonyl)-7,10,13-trioxo-2-thia-6,9,12-triazapentadecan-15-yl)((2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl)phosphinic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ((5S,8S,11S)-8,11-diisopropyl-5-(methoxycarbonyl)-7,10,13-trioxo-2-thia-6,9,12-triazapentadecan-15-yl)((2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl)phosphinic acid has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ((5S,8S,11S)-8,11-diisopropyl-5-(methoxycarbonyl)-7,10,13-trioxo-2-thia-6,9,12-triazapentadecan-15-yl)((2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl)phosphinic acid?
The CAS number of ((5S,8S,11S)-8,11-diisopropyl-5-(methoxycarbonyl)-7,10,13-trioxo-2-thia-6,9,12-triazapentadecan-15-yl)((2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl)phosphinic acid is 167467-53-0.
What is the molecular formula of ((5S,8S,11S)-8,11-diisopropyl-5-(methoxycarbonyl)-7,10,13-trioxo-2-thia-6,9,12-triazapentadecan-15-yl)((2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl)phosphinic acid?
The molecular formula of ((5S,8S,11S)-8,11-diisopropyl-5-(methoxycarbonyl)-7,10,13-trioxo-2-thia-6,9,12-triazapentadecan-15-yl)((2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl)phosphinic acid is C34H60N3O7PS.
What is the molecular weight of ((5S,8S,11S)-8,11-diisopropyl-5-(methoxycarbonyl)-7,10,13-trioxo-2-thia-6,9,12-triazapentadecan-15-yl)((2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl)phosphinic acid?
The molecular weight of ((5S,8S,11S)-8,11-diisopropyl-5-(methoxycarbonyl)-7,10,13-trioxo-2-thia-6,9,12-triazapentadecan-15-yl)((2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl)phosphinic acid is 685.39 g/mol.
Where can I buy ((5S,8S,11S)-8,11-diisopropyl-5-(methoxycarbonyl)-7,10,13-trioxo-2-thia-6,9,12-triazapentadecan-15-yl)((2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl)phosphinic acid?
You can request a quote for ((5S,8S,11S)-8,11-diisopropyl-5-(methoxycarbonyl)-7,10,13-trioxo-2-thia-6,9,12-triazapentadecan-15-yl)((2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl)phosphinic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ((5S,8S,11S)-8,11-diisopropyl-5-(methoxycarbonyl)-7,10,13-trioxo-2-thia-6,9,12-triazapentadecan-15-yl)((2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl)phosphinic acid?
Yes, KEHONG BIO provides custom synthesis services for ((5S,8S,11S)-8,11-diisopropyl-5-(methoxycarbonyl)-7,10,13-trioxo-2-thia-6,9,12-triazapentadecan-15-yl)((2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl)phosphinic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.