AB00684786-01
TL;DR: AB00684786-01 (CAS 852154-67-7) is a chemical compound with molecular formula C21H23ClN6O3S and molecular weight 474.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[[5-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-4-(4-chlorophenyl)-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione
Also Known As: AB00684786-01, F0648-0804, 6-((5-((2-(azepan-1-yl)-2-oxoethyl)thio)-4-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)methyl)pyrimidine-2,4(1H,3H)-dione, 6-[(5-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-4-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)methyl]-1,2,3,4-tetrahydropyrimidine-2,4-dione, 6-[[5-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-4-(4-chlorophenyl)-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione
| Molecular Formula | C21H23ClN6O3S |
|---|---|
| Molecular Weight | 474.12 g/mol |
| LogP | 2.3828 |
| Topological Polar Surface Area | 116.74 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 474.12408 |
| Heavy Atoms | 32 |
| Complexity | 1166.9844 |
Chemical Identifiers
| CAS Number | 852154-67-7 |
|---|---|
| SMILES | C1CCCN(CC1)C(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Cl)CC4=CC(=O)NC(=O)N4 |
Product Overview
AB00684786-01 (CAS 852154-67-7), with molecular formula C21H23ClN6O3S and molecular weight 474.12 g/mol. IUPAC: 6-[[5-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-4-(4-chlorophenyl)-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione.
Chemical Property Profile of AB00684786-01
Property Insights of AB00684786-01
The XLogP value of 2.3828 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00684786-01. The TPSA of 116.74 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00684786-01. Following Lipinski's Rule of Five, AB00684786-01 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 AB00684786-01?
The CAS number of AB00684786-01 is 852154-67-7.
What is the molecular formula of AB00684786-01?
The molecular formula of AB00684786-01 is C21H23ClN6O3S.
What is the molecular weight of AB00684786-01?
The molecular weight of AB00684786-01 is 474.12 g/mol.
Where can I buy AB00684786-01?
You can request a quote for AB00684786-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00684786-01?
Yes, KEHONG BIO provides custom synthesis services for AB00684786-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.