AN-919/40868741
TL;DR: AN-919/40868741 (CAS 442572-23-8) is a chemical compound with molecular formula C26H22N4O5S and molecular weight 502.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2-[[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl]acetyl]amino]benzoic acid
Also Known As: AN-919/40868741, 4-[({[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}acetyl)amino]benzoic acid, 4-(2-((5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl)thio)acetamido)benzoic acid, 4-[[2-[[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl]acetyl]amino]benzoic acid
| Molecular Formula | C26H22N4O5S |
|---|---|
| Molecular Weight | 502.13 g/mol |
| LogP | 4.6518 |
| Topological Polar Surface Area | 123.53 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 502.1311 |
| Heavy Atoms | 36 |
| Complexity | 1360.9856 |
Chemical Identifiers
| CAS Number | 442572-23-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=C(N=NC(=N2)SCC(=O)NC3=CC=C(C=C3)C(=O)O)C4=CC=C(C=C4)OC |
Product Overview
AN-919/40868741 (CAS 442572-23-8), with molecular formula C26H22N4O5S and molecular weight 502.13 g/mol. IUPAC: 4-[[2-[[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl]acetyl]amino]benzoic acid.
Chemical Property Profile of AN-919/40868741
Property Insights of AN-919/40868741
The XLogP value of 4.6518 indicates that AN-919/40868741 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 123.53 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-919/40868741. Following Lipinski's Rule of Five, AN-919/40868741 has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AN-919/40868741?
The CAS number of AN-919/40868741 is 442572-23-8.
What is the molecular formula of AN-919/40868741?
The molecular formula of AN-919/40868741 is C26H22N4O5S.
What is the molecular weight of AN-919/40868741?
The molecular weight of AN-919/40868741 is 502.13 g/mol.
Where can I buy AN-919/40868741?
You can request a quote for AN-919/40868741 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-919/40868741?
Yes, KEHONG BIO provides custom synthesis services for AN-919/40868741 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.