A3899/0165847
TL;DR: A3899/0165847 (CAS 1009698-85-4) is a chemical compound with molecular formula C20H27N3O3S and molecular weight 389.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[2-[[5-methyl-4-(2-methylpropyl)-1H-imidazol-2-yl]sulfanyl]acetyl]amino]-3-phenylpropanoate
Also Known As: A3899/0165847, methyl N-({[4-methyl-5-(2-methylpropyl)-1H-imidazol-2-yl]sulfanyl}acetyl)phenylalaninate, METHYL 2-(2-{[4-METHYL-5-(2-METHYLPROPYL)-1H-IMIDAZOL-2-YL]SULFANYL}ACETAMIDO)-3-PHENYLPROPANOATE, methyl 2-(2-((5-isobutyl-4-methyl-1H-imidazol-2-yl)thio)acetamido)-3-phenylpropanoate, methyl 2-[[2-[[5-methyl-4-(2-methylpropyl)-1H-imidazol-2-yl]sulfanyl]acetyl]amino]-3-phenylpropanoate
| Molecular Formula | C20H27N3O3S |
|---|---|
| Molecular Weight | 389.18 g/mol |
| LogP | 2.90922 |
| Topological Polar Surface Area | 84.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 389.1773 |
| Heavy Atoms | 27 |
| Complexity | 759.08734 |
Chemical Identifiers
| CAS Number | 1009698-85-4 |
|---|---|
| SMILES | CC1=C(N=C(N1)SCC(=O)NC(CC2=CC=CC=C2)C(=O)OC)CC(C)C |
Product Overview
A3899/0165847 (CAS 1009698-85-4), with molecular formula C20H27N3O3S and molecular weight 389.18 g/mol. IUPAC: methyl 2-[[2-[[5-methyl-4-(2-methylpropyl)-1H-imidazol-2-yl]sulfanyl]acetyl]amino]-3-phenylpropanoate.
Chemical Property Profile of A3899/0165847
Property Insights of A3899/0165847
The XLogP value of 2.90922 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3899/0165847. The TPSA of 84.08 Ų falls within the moderate polarity range, balancing permeability and solubility for A3899/0165847. Following Lipinski's Rule of Five, A3899/0165847 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A3899/0165847?
The CAS number of A3899/0165847 is 1009698-85-4.
What is the molecular formula of A3899/0165847?
The molecular formula of A3899/0165847 is C20H27N3O3S.
What is the molecular weight of A3899/0165847?
The molecular weight of A3899/0165847 is 389.18 g/mol.
Where can I buy A3899/0165847?
You can request a quote for A3899/0165847 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3899/0165847?
Yes, KEHONG BIO provides custom synthesis services for A3899/0165847 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.