AN-989/14669156
TL;DR: AN-989/14669156 (CAS 443668-61-9) is a chemical compound with molecular formula C27H25N5O4S and molecular weight 515.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[2-[[4-methyl-5-[4-[(2-methylbenzoyl)amino]phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
Also Known As: AN-989/14669156, methyl 4-[({[4-methyl-5-(4-{[(2-methylphenyl)carbonyl]amino}phenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate, methyl 4-[[2-[[4-methyl-5-[4-[(2-methylbenzoyl)amino]phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate, methyl 4-(2-((4-methyl-5-(4-(2-methylbenzamido)phenyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate
| Molecular Formula | C27H25N5O4S |
|---|---|
| Molecular Weight | 515.16 g/mol |
| LogP | 4.56022 |
| Topological Polar Surface Area | 115.21 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 515.1627 |
| Heavy Atoms | 37 |
| Complexity | 1432.1943 |
Chemical Identifiers
| CAS Number | 443668-61-9 |
|---|---|
| SMILES | CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)C3=NN=C(N3C)SCC(=O)NC4=CC=C(C=C4)C(=O)OC |
Product Overview
AN-989/14669156 (CAS 443668-61-9), with molecular formula C27H25N5O4S and molecular weight 515.16 g/mol. IUPAC: methyl 4-[[2-[[4-methyl-5-[4-[(2-methylbenzoyl)amino]phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of AN-989/14669156
Property Insights of AN-989/14669156
The XLogP value of 4.56022 indicates that AN-989/14669156 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.21 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-989/14669156. Following Lipinski's Rule of Five, AN-989/14669156 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AN-989/14669156?
The CAS number of AN-989/14669156 is 443668-61-9.
What is the molecular formula of AN-989/14669156?
The molecular formula of AN-989/14669156 is C27H25N5O4S.
What is the molecular weight of AN-989/14669156?
The molecular weight of AN-989/14669156 is 515.16 g/mol.
Where can I buy AN-989/14669156?
You can request a quote for AN-989/14669156 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-989/14669156?
Yes, KEHONG BIO provides custom synthesis services for AN-989/14669156 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.