AB00677680-01
TL;DR: AB00677680-01 (CAS 23090-96-2) is a chemical compound with molecular formula C13H11N5O2S and molecular weight 301.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-1H-pyrimidine-2,4-dione
Also Known As: AB00677680-01, F1923-0001, 6-((5-mercapto-4-phenyl-4H-1,2,4-triazol-3-yl)methyl)pyrimidine-2,4(1H,3H)-dione, 6-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-1H-pyrimidine-2,4-dione, 6-[(4-phenyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]-1,2,3,4-tetrahydropyrimidine-2,4-dione
| Molecular Formula | C13H11N5O2S |
|---|---|
| Molecular Weight | 301.06 g/mol |
| LogP | 0.89729 |
| Topological Polar Surface Area | 99.33 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 301.06335 |
| Heavy Atoms | 21 |
| Complexity | 906.9357 |
Chemical Identifiers
| CAS Number | 23090-96-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NNC2=S)CC3=CC(=O)NC(=O)N3 |
Product Overview
AB00677680-01 (CAS 23090-96-2), with molecular formula C13H11N5O2S and molecular weight 301.06 g/mol. IUPAC: 6-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-1H-pyrimidine-2,4-dione.
Chemical Property Profile of AB00677680-01
Property Insights of AB00677680-01
The XLogP value of 0.89729 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00677680-01. The TPSA of 99.33 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00677680-01. Following Lipinski's Rule of Five, AB00677680-01 has 3 hydrogen bond donor(s) and 4 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 AB00677680-01?
The CAS number of AB00677680-01 is 23090-96-2.
What is the molecular formula of AB00677680-01?
The molecular formula of AB00677680-01 is C13H11N5O2S.
What is the molecular weight of AB00677680-01?
The molecular weight of AB00677680-01 is 301.06 g/mol.
Where can I buy AB00677680-01?
You can request a quote for AB00677680-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00677680-01?
Yes, KEHONG BIO provides custom synthesis services for AB00677680-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.