Hac-His-Cha-psi(CH(OH)CH(OH))-Val-Ile-Amp
TL;DR: Hac-His-Cha-psi(CH(OH)CH(OH))-Val-Ile-Amp (CAS 134458-77-8) is a chemical compound with molecular formula C35H55N7O7 and molecular weight 685.42 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3R,4R,5S)-6-cyclohexyl-3,4-dihydroxy-5-[[(2S)-2-[(2-hydroxyacetyl)amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-N-[(2S,3S)-3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)pentan-2-yl]-2-propan-2-ylhexanamide
Also Known As: Hac-His-Cha-psi(CH(OH)CH(OH))-Val-Ile-Amp, Hac-His-Cha-.psi.[CH(OH)CH(OH)]-Val-Ile-Amp, L-Idonamide, 6-cyclohexyl-2,5,6-trideoxy-5-((2-((hydroxyacetyl)amino)-3-(1H-imidazol-4-yl)-1-oxopropyl)amino)-2-(1-methylethyl)-N-(2-methyl-1-(((2-pyridinylmethyl)amino)carbonyl)butyl)-, (1(1S,2S),5(S))-, (2R,3R,4R,5S)-6-cyclohexyl-3,4-dihydroxy-5-[(2S)-2-(2-hydroxyacetamido)-3-(1H-imidazol-4-yl)propanamido]-N-[(1S,2S)-2-methyl-1-{[(pyridin-2-yl)methyl]carbamoyl}butyl]-2-(propan-2-yl)hexanamide, (2R,3R,4R,5S)-6-Cyclohexyl-3,4-dihydroxy-5-[(2S)-2-(2-hydroxyacetamido)-3-(1H-imidazol-5-yl)propanamido]-N-[(2S,3S)-3-methyl-1-oxo-1-{[(pyridin-2-yl)methyl]amino}pentan-2-yl]-2-(propan-2-yl)hexanamide
| Molecular Formula | C35H55N7O7 |
|---|---|
| Molecular Weight | 685.42 g/mol |
| LogP | 1.1208 |
| Topological Polar Surface Area | 218.66 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 19 |
| Exact Mass | 685.4163 |
| Heavy Atoms | 49 |
| Complexity | 1304.6643 |
Chemical Identifiers
| CAS Number | 134458-77-8 |
|---|---|
| SMILES | CC[C@H](C)[C@@H](C(=O)NCC1=CC=CC=N1)NC(=O)[C@@H]([C@H]([C@@H]([C@H](CC2CCCCC2)NC(=O)[C@H](CC3=CN=CN3)NC(=O)CO)O)O)C(C)C |
Product Overview
Hac-His-Cha-psi(CH(OH)CH(OH))-Val-Ile-Amp (CAS 134458-77-8), with molecular formula C35H55N7O7 and molecular weight 685.42 g/mol. IUPAC: (2R,3R,4R,5S)-6-cyclohexyl-3,4-dihydroxy-5-[[(2S)-2-[(2-hydroxyacetyl)amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-N-[(2S,3S)-3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)pentan-2-yl]-2-propan-2-ylhexanamide.
Chemical Property Profile of Hac-His-Cha-psi(CH(OH)CH(OH))-Val-Ile-Amp
Property Insights of Hac-His-Cha-psi(CH(OH)CH(OH))-Val-Ile-Amp
The XLogP value of 1.1208 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hac-His-Cha-psi(CH(OH)CH(OH))-Val-Ile-Amp. The TPSA of 218.66 Ų indicates high polarity, suggesting Hac-His-Cha-psi(CH(OH)CH(OH))-Val-Ile-Amp may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Hac-His-Cha-psi(CH(OH)CH(OH))-Val-Ile-Amp has 8 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Hac-His-Cha-psi(CH(OH)CH(OH))-Val-Ile-Amp?
The CAS number of Hac-His-Cha-psi(CH(OH)CH(OH))-Val-Ile-Amp is 134458-77-8.
What is the molecular formula of Hac-His-Cha-psi(CH(OH)CH(OH))-Val-Ile-Amp?
The molecular formula of Hac-His-Cha-psi(CH(OH)CH(OH))-Val-Ile-Amp is C35H55N7O7.
What is the molecular weight of Hac-His-Cha-psi(CH(OH)CH(OH))-Val-Ile-Amp?
The molecular weight of Hac-His-Cha-psi(CH(OH)CH(OH))-Val-Ile-Amp is 685.42 g/mol.
Where can I buy Hac-His-Cha-psi(CH(OH)CH(OH))-Val-Ile-Amp?
You can request a quote for Hac-His-Cha-psi(CH(OH)CH(OH))-Val-Ile-Amp directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hac-His-Cha-psi(CH(OH)CH(OH))-Val-Ile-Amp?
Yes, KEHONG BIO provides custom synthesis services for Hac-His-Cha-psi(CH(OH)CH(OH))-Val-Ile-Amp and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.