AB00414551-04
TL;DR: AB00414551-04 (CAS 476435-20-8) is a chemical compound with molecular formula C22H24N4O4S and molecular weight 440.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[4-benzyl-5-[[(4-methoxybenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate
Also Known As: AB00414551-04, F0528-0470, ethyl 2-[(4-benzyl-5-{[(4-methoxyphenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetate, ethyl 2-((4-benzyl-5-((4-methoxybenzamido)methyl)-4H-1,2,4-triazol-3-yl)thio)acetate, ethyl 2-[[4-benzyl-5-[[(4-methoxybenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate
| Molecular Formula | C22H24N4O4S |
|---|---|
| Molecular Weight | 440.15 g/mol |
| LogP | 2.9202 |
| Topological Polar Surface Area | 95.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 440.15182 |
| Heavy Atoms | 31 |
| Complexity | 1006.11017 |
Chemical Identifiers
| CAS Number | 476435-20-8 |
|---|---|
| SMILES | CCOC(=O)CSC1=NN=C(N1CC2=CC=CC=C2)CNC(=O)C3=CC=C(C=C3)OC |
Product Overview
AB00414551-04 (CAS 476435-20-8), with molecular formula C22H24N4O4S and molecular weight 440.15 g/mol. IUPAC: ethyl 2-[[4-benzyl-5-[[(4-methoxybenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate.
Chemical Property Profile of AB00414551-04
Property Insights of AB00414551-04
The XLogP value of 2.9202 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00414551-04. The TPSA of 95.34 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00414551-04. Following Lipinski's Rule of Five, AB00414551-04 has 1 hydrogen bond donor(s) and 7 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 AB00414551-04?
The CAS number of AB00414551-04 is 476435-20-8.
What is the molecular formula of AB00414551-04?
The molecular formula of AB00414551-04 is C22H24N4O4S.
What is the molecular weight of AB00414551-04?
The molecular weight of AB00414551-04 is 440.15 g/mol.
Where can I buy AB00414551-04?
You can request a quote for AB00414551-04 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00414551-04?
Yes, KEHONG BIO provides custom synthesis services for AB00414551-04 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.