A2913/0122808
TL;DR: A2913/0122808 (CAS 578733-75-2) is a chemical compound with molecular formula C20H19N5O3S and molecular weight 409.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate
Also Known As: A2913/0122808, methyl 4-[(2-{[4-allyl-5-(3-pyridyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate, methyl 4-(2-{[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate, methyl 4-(2-((4-allyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate, methyl 4-[2-(4-prop-2-enyl-5-(3-pyridyl)-1,2,4-triazol-3-ylthio)acetylamino]be nzoate
| Molecular Formula | C20H19N5O3S |
|---|---|
| Molecular Weight | 409.12 g/mol |
| LogP | 3.0435 |
| Topological Polar Surface Area | 99.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 409.12085 |
| Heavy Atoms | 29 |
| Complexity | 1002.71594 |
Chemical Identifiers
| CAS Number | 578733-75-2 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC=C)C3=CN=CC=C3 |
Product Overview
A2913/0122808 (CAS 578733-75-2), with molecular formula C20H19N5O3S and molecular weight 409.12 g/mol. IUPAC: methyl 4-[[2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of A2913/0122808
Property Insights of A2913/0122808
The XLogP value of 3.0435 indicates that A2913/0122808 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.0 Ų falls within the moderate polarity range, balancing permeability and solubility for A2913/0122808. Following Lipinski's Rule of Five, A2913/0122808 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 A2913/0122808?
The CAS number of A2913/0122808 is 578733-75-2.
What is the molecular formula of A2913/0122808?
The molecular formula of A2913/0122808 is C20H19N5O3S.
What is the molecular weight of A2913/0122808?
The molecular weight of A2913/0122808 is 409.12 g/mol.
Where can I buy A2913/0122808?
You can request a quote for A2913/0122808 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2913/0122808?
Yes, KEHONG BIO provides custom synthesis services for A2913/0122808 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.