AB01284269-01
TL;DR: AB01284269-01 (CAS 852048-70-5) is a chemical compound with molecular formula C23H21N5O3S and molecular weight 447.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[[4-(2,5-dimethylphenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione
Also Known As: AB01284269-01, F0648-0337, 6-((4-(2,5-dimethylphenyl)-5-((2-oxo-2-phenylethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)pyrimidine-2,4(1H,3H)-dione, 6-[[4-(2,5-dimethylphenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione, 6-{[4-(2,5-dimethylphenyl)-5-[(2-oxo-2-phenylethyl)sulfanyl]-4H-1,2,4-triazol-3-yl]methyl}-1,2,3,4-tetrahydropyrimidine-2,4-dione
| Molecular Formula | C23H21N5O3S |
|---|---|
| Molecular Weight | 447.14 g/mol |
| LogP | 2.82654 |
| Topological Polar Surface Area | 113.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 447.1365 |
| Heavy Atoms | 32 |
| Complexity | 1360.5099 |
Chemical Identifiers
| CAS Number | 852048-70-5 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)N2C(=NN=C2SCC(=O)C3=CC=CC=C3)CC4=CC(=O)NC(=O)N4 |
Product Overview
AB01284269-01 (CAS 852048-70-5), with molecular formula C23H21N5O3S and molecular weight 447.14 g/mol. IUPAC: 6-[[4-(2,5-dimethylphenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione.
Chemical Property Profile of AB01284269-01
Property Insights of AB01284269-01
The XLogP value of 2.82654 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB01284269-01. The TPSA of 113.5 Ų falls within the moderate polarity range, balancing permeability and solubility for AB01284269-01. Following Lipinski's Rule of Five, AB01284269-01 has 2 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 AB01284269-01?
The CAS number of AB01284269-01 is 852048-70-5.
What is the molecular formula of AB01284269-01?
The molecular formula of AB01284269-01 is C23H21N5O3S.
What is the molecular weight of AB01284269-01?
The molecular weight of AB01284269-01 is 447.14 g/mol.
Where can I buy AB01284269-01?
You can request a quote for AB01284269-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01284269-01?
Yes, KEHONG BIO provides custom synthesis services for AB01284269-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.