ChemDiv3_008629
TL;DR: ChemDiv3_008629 (CAS 689746-52-9) is a chemical compound with molecular formula C15H18N4O3S and molecular weight 334.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[4-methyl-5-[[(2-phenylacetyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate
Also Known As: ChemDiv3_008629, IDI1_026539, BRD-K95333119-001-01-2, F0601-0001, methyl 2-({4-methyl-5-[(2-phenylacetamido)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetate
| Molecular Formula | C15H18N4O3S |
|---|---|
| Molecular Weight | 334.11 g/mol |
| LogP | 0.9391 |
| Topological Polar Surface Area | 86.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 334.10995 |
| Heavy Atoms | 23 |
| Complexity | 672.61646 |
Chemical Identifiers
| CAS Number | 689746-52-9 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)OC)CNC(=O)CC2=CC=CC=C2 |
Product Overview
ChemDiv3_008629 (CAS 689746-52-9), with molecular formula C15H18N4O3S and molecular weight 334.11 g/mol. IUPAC: methyl 2-[[4-methyl-5-[[(2-phenylacetyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate.
Chemical Property Profile of ChemDiv3_008629
Property Insights of ChemDiv3_008629
The XLogP value of 0.9391 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_008629. The TPSA of 86.11 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_008629. Following Lipinski's Rule of Five, ChemDiv3_008629 has 1 hydrogen bond donor(s) and 6 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_008629?
The CAS number of ChemDiv3_008629 is 689746-52-9.
What is the molecular formula of ChemDiv3_008629?
The molecular formula of ChemDiv3_008629 is C15H18N4O3S.
What is the molecular weight of ChemDiv3_008629?
The molecular weight of ChemDiv3_008629 is 334.11 g/mol.
Where can I buy ChemDiv3_008629?
You can request a quote for ChemDiv3_008629 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_008629?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_008629 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.