AB00684884-01
TL;DR: AB00684884-01 (CAS 847400-95-7) is a chemical compound with molecular formula C13H12N4O3S2 and molecular weight 336.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-methyl-5-[(2-oxo-1,3-benzothiazol-3-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetic acid
Also Known As: AB00684884-01, F0665-0112, 2-({4-methyl-5-[(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid, 2-((4-methyl-5-((2-oxobenzo[d]thiazol-3(2H)-yl)methyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid, 2-[[4-methyl-5-[(2-oxo-1,3-benzothiazol-3-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetic acid
| Molecular Formula | C13H12N4O3S2 |
|---|---|
| Molecular Weight | 336.04 g/mol |
| LogP | 1.4165 |
| Topological Polar Surface Area | 90.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 336.0351 |
| Heavy Atoms | 22 |
| Complexity | 896.20764 |
Chemical Identifiers
| CAS Number | 847400-95-7 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)O)CN2C3=CC=CC=C3SC2=O |
Product Overview
AB00684884-01 (CAS 847400-95-7), with molecular formula C13H12N4O3S2 and molecular weight 336.04 g/mol. IUPAC: 2-[[4-methyl-5-[(2-oxo-1,3-benzothiazol-3-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetic acid.
Chemical Property Profile of AB00684884-01
Property Insights of AB00684884-01
The XLogP value of 1.4165 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00684884-01. The TPSA of 90.01 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00684884-01. Following Lipinski's Rule of Five, AB00684884-01 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 AB00684884-01?
The CAS number of AB00684884-01 is 847400-95-7.
What is the molecular formula of AB00684884-01?
The molecular formula of AB00684884-01 is C13H12N4O3S2.
What is the molecular weight of AB00684884-01?
The molecular weight of AB00684884-01 is 336.04 g/mol.
Where can I buy AB00684884-01?
You can request a quote for AB00684884-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00684884-01?
Yes, KEHONG BIO provides custom synthesis services for AB00684884-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.