AB00685800-01
TL;DR: AB00685800-01 (CAS 540772-28-9) is a chemical compound with molecular formula C14H15N5O4S and molecular weight 349.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]acetyl]amino]benzoate
Also Known As: AB00685800-01, F1285-0388, methyl 4-{2-[(4-amino-6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]acetamido}benzoate, methyl 4-[[2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]acetyl]amino]benzoate, methyl 4-({[(4-amino-6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]acetyl}amino)benzoate
| Molecular Formula | C14H15N5O4S |
|---|---|
| Molecular Weight | 349.08 g/mol |
| LogP | 0.17792 |
| Topological Polar Surface Area | 129.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 349.08447 |
| Heavy Atoms | 24 |
| Complexity | 818.9048 |
Chemical Identifiers
| CAS Number | 540772-28-9 |
|---|---|
| SMILES | CC1=NN=C(N(C1=O)N)SCC(=O)NC2=CC=C(C=C2)C(=O)OC |
Product Overview
AB00685800-01 (CAS 540772-28-9), with molecular formula C14H15N5O4S and molecular weight 349.08 g/mol. IUPAC: methyl 4-[[2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of AB00685800-01
Property Insights of AB00685800-01
The XLogP value of 0.17792 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00685800-01. The TPSA of 129.2 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00685800-01. Following Lipinski's Rule of Five, AB00685800-01 has 2 hydrogen bond donor(s) and 8 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 AB00685800-01?
The CAS number of AB00685800-01 is 540772-28-9.
What is the molecular formula of AB00685800-01?
The molecular formula of AB00685800-01 is C14H15N5O4S.
What is the molecular weight of AB00685800-01?
The molecular weight of AB00685800-01 is 349.08 g/mol.
Where can I buy AB00685800-01?
You can request a quote for AB00685800-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00685800-01?
Yes, KEHONG BIO provides custom synthesis services for AB00685800-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.