ChemDiv3_008499
TL;DR: ChemDiv3_008499 (CAS 689749-32-4) is a chemical compound with molecular formula C15H18N4O4S and molecular weight 350.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[5-[[(2-methoxybenzoyl)amino]methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate
Also Known As: ChemDiv3_008499, IDI1_026409, BRD-K81029280-001-01-5, F0601-0059, methyl 2-[(5-{[(2-methoxyphenyl)formamido]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate
| Molecular Formula | C15H18N4O4S |
|---|---|
| Molecular Weight | 350.10 g/mol |
| LogP | 1.0188 |
| Topological Polar Surface Area | 95.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 350.1049 |
| Heavy Atoms | 24 |
| Complexity | 732.01416 |
Chemical Identifiers
| CAS Number | 689749-32-4 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)OC)CNC(=O)C2=CC=CC=C2OC |
Product Overview
ChemDiv3_008499 (CAS 689749-32-4), with molecular formula C15H18N4O4S and molecular weight 350.10 g/mol. IUPAC: methyl 2-[[5-[[(2-methoxybenzoyl)amino]methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate.
Chemical Property Profile of ChemDiv3_008499
Property Insights of ChemDiv3_008499
The XLogP value of 1.0188 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_008499. The TPSA of 95.34 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_008499. Following Lipinski's Rule of Five, ChemDiv3_008499 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 ChemDiv3_008499?
The CAS number of ChemDiv3_008499 is 689749-32-4.
What is the molecular formula of ChemDiv3_008499?
The molecular formula of ChemDiv3_008499 is C15H18N4O4S.
What is the molecular weight of ChemDiv3_008499?
The molecular weight of ChemDiv3_008499 is 350.10 g/mol.
Where can I buy ChemDiv3_008499?
You can request a quote for ChemDiv3_008499 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_008499?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_008499 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.