RefChem:350639
TL;DR: RefChem:350639 (CAS 35146-63-5) is a chemical compound with molecular formula C27H40N4O8S and molecular weight 580.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(2-methoxy-2-oxoethyl)sulfanyl-2-[[2-[[4-methyl-2-[[3-phenyl-2-(propanoylamino)propanoyl]amino]pentanoyl]amino]acetyl]amino]propanoate
Also Known As: L-Cysteine, S-(2-methoxy-2-oxoethyl)-N-[N-[N-[N-(1-oxopropyl)-L-phenylalanyl]-L-leucyl]glycyl]-, methyl ester, L-Cysteine, s-(2-methoxy-2-oxoethyl)-N-(N-(N-(N-(1-oxopropyl)-L-phenylalanyl)-L-leucyl)glycyl)-, methyl ester, 2-({1-Hydroxy-2-[(1-hydroxypropylidene)amino]-3-phenylpropylidene}amino)-N-[2-hydroxy-2-({1-methoxy-3-[(2-methoxy-2-oxoethyl)sulfanyl]-1-oxopropan-2-yl}imino)ethyl]-4-methylpentanimidic acid, Methyl 14-benzyl-11-isobutyl-5-(methoxycarbonyl)-7,10,13,16-tetraoxo-3-thia-6,9,12,15-tetraazaoctadecan-1-oate, Methyl 14-benzyl-11-isobutyl-5-(methoxycarbonyl)-7,10,13,16-tetraoxo-3-thia-6,9,12,15-tetraazaoctadecan-1-oate #
| Molecular Formula | C27H40N4O8S |
|---|---|
| Molecular Weight | 580.26 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 194.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 19 |
| Exact Mass | 580.2567 |
| Heavy Atoms | 40 |
| Complexity | 863.0 |
Chemical Identifiers
| CAS Number | 35146-63-5 |
|---|---|
| SMILES | CCC(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC(C)C)C(=O)NCC(=O)NC(CSCC(=O)OC)C(=O)OC |
| InChIKey | HBIFAJIXPAZQOJ-UHFFFAOYSA-N |
Product Overview
RefChem:350639 (CAS 35146-63-5), with molecular formula C27H40N4O8S and molecular weight 580.26 g/mol. IUPAC: methyl 3-(2-methoxy-2-oxoethyl)sulfanyl-2-[[2-[[4-methyl-2-[[3-phenyl-2-(propanoylamino)propanoyl]amino]pentanoyl]amino]acetyl]amino]propanoate.
Chemical Property Profile of RefChem:350639
Property Insights of RefChem:350639
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:350639. The TPSA of 194.0 Ų indicates high polarity, suggesting RefChem:350639 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:350639 has 4 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 RefChem:350639?
The CAS number of RefChem:350639 is 35146-63-5.
What is the molecular formula of RefChem:350639?
The molecular formula of RefChem:350639 is C27H40N4O8S.
What is the molecular weight of RefChem:350639?
The molecular weight of RefChem:350639 is 580.26 g/mol.
Where can I buy RefChem:350639?
You can request a quote for RefChem:350639 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:350639?
Yes, KEHONG BIO provides custom synthesis services for RefChem:350639 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.