Hydroxypepstatin
TL;DR: Hydroxypepstatin (CAS 52329-53-0) is a chemical compound with molecular formula C34H63N5O10 and molecular weight 701.46 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-4-[[(2S)-2-[[(3S,4S)-4-[[(2S,6S)-1-amino-3,7-dimethyl-6-(3-methylbutanoylamino)-1,5-dioxooctan-2-yl]amino]-3-hydroxy-6-methylheptanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxy-6-methylheptanoic acid
Also Known As: Hydroxypepstatin, (3S)-4-[[(2S)-2-[[(3S,4S)-4-[[(2S,6S)-1-amino-3,7-dimethyl-6-(3-methylbutanoylamino)-1,5-dioxooctan-2-yl]amino]-3-hydroxy-6-methylheptanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxy-6-methylheptanoic acid, L-Valinamide, N-(3-methyl-1-oxobutyl)-L-valyl-N-(4-((2-((1-(2-carboxy-1-hydroxyethyl)-3-methylbutyl)amino)-1-(hydroxymethyl)-2-oxoethyl)amino)-2-hydroxy-1-(2-methylpropyl)-4-oxobutyl)-, (1S-(1R*,2R*,4(R*(R*(R*)))))-, (3S,7S,11S,12S,14S,18S)-3,6,9,11,20-Pentahydroxy-14-[hydroxy(imino)methyl]-7-(hydroxymethyl)-15,22-dimethyl-4,12-bis(2-methylpropyl)-17-oxo-18-(propan-2-yl)-5,8,13,19-tetraazatricosa-5,8,19-trien-1-oic acid, 3,6,9,11,20-Pentahydroxy-14-[hydroxy(imino)methyl]-7-(hydroxymethyl)-15,22-dimethyl-4,12-bis(2-methylpropyl)-17-oxo-18-(propan-2-yl)-5,8,13,19-tetraazatricosa-5,8,19-trien-1-oic acid
| Molecular Formula | C34H63N5O10 |
|---|---|
| Molecular Weight | 701.46 g/mol |
| LogP | 0.2214 |
| Topological Polar Surface Area | 257.48 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 25 |
| Exact Mass | 701.4575 |
| Heavy Atoms | 49 |
| Complexity | 1083.5747 |
Chemical Identifiers
| CAS Number | 52329-53-0 |
|---|---|
| SMILES | CC(C)C[C@@H]([C@H](CC(=O)N[C@@H](CO)C(=O)NC(CC(C)C)[C@H](CC(=O)O)O)O)N[C@@H](C(C)CC(=O)[C@H](C(C)C)NC(=O)CC(C)C)C(=O)N |
Product Overview
Hydroxypepstatin (CAS 52329-53-0), with molecular formula C34H63N5O10 and molecular weight 701.46 g/mol. IUPAC: (3S)-4-[[(2S)-2-[[(3S,4S)-4-[[(2S,6S)-1-amino-3,7-dimethyl-6-(3-methylbutanoylamino)-1,5-dioxooctan-2-yl]amino]-3-hydroxy-6-methylheptanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxy-6-methylheptanoic acid.
Chemical Property Profile of Hydroxypepstatin
Property Insights of Hydroxypepstatin
The XLogP value of 0.2214 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hydroxypepstatin. The TPSA of 257.48 Ų indicates high polarity, suggesting Hydroxypepstatin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Hydroxypepstatin has 9 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Hydroxypepstatin?
The CAS number of Hydroxypepstatin is 52329-53-0.
What is the molecular formula of Hydroxypepstatin?
The molecular formula of Hydroxypepstatin is C34H63N5O10.
What is the molecular weight of Hydroxypepstatin?
The molecular weight of Hydroxypepstatin is 701.46 g/mol.
Where can I buy Hydroxypepstatin?
You can request a quote for Hydroxypepstatin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hydroxypepstatin?
Yes, KEHONG BIO provides custom synthesis services for Hydroxypepstatin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.