ChemDiv1_011522
TL;DR: ChemDiv1_011522 (CAS 312513-36-3) is a chemical compound with molecular formula C19H16ClN3O3S and molecular weight 401.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-benzyl-4,6-dioxo-1H-pyrimidin-2-yl)sulfanyl]-N-(3-chlorophenyl)acetamide
Also Known As: ChemDiv1_011522, AB00105444-01, 2-[(5-benzyl-4,6-dioxo-1,4,5,6-tetrahydropyrimidin-2-yl)sulfanyl]-N-(3-chlorophenyl)acetamide, 2-((5-benzyl-4,6-dioxo-1,4,5,6-tetrahydropyrimidin-2-yl)thio)-N-(3-chlorophenyl)acetamide, 2-[(5-benzyl-4,6-dioxo-1,4,5,6-tetrahydropyrimidin-2-yl)thio]-N-(3-chlorophenyl)acetamide
| Molecular Formula | C19H16ClN3O3S |
|---|---|
| Molecular Weight | 401.06 g/mol |
| LogP | 2.883 |
| Topological Polar Surface Area | 87.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 401.0601 |
| Heavy Atoms | 27 |
| Complexity | 902.0827 |
Chemical Identifiers
| CAS Number | 312513-36-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC2C(=O)NC(=NC2=O)SCC(=O)NC3=CC(=CC=C3)Cl |
Product Overview
ChemDiv1_011522 (CAS 312513-36-3), with molecular formula C19H16ClN3O3S and molecular weight 401.06 g/mol. IUPAC: 2-[(5-benzyl-4,6-dioxo-1H-pyrimidin-2-yl)sulfanyl]-N-(3-chlorophenyl)acetamide.
Chemical Property Profile of ChemDiv1_011522
Property Insights of ChemDiv1_011522
The XLogP value of 2.883 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_011522. The TPSA of 87.63 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_011522. Following Lipinski's Rule of Five, ChemDiv1_011522 has 2 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 ChemDiv1_011522?
The CAS number of ChemDiv1_011522 is 312513-36-3.
What is the molecular formula of ChemDiv1_011522?
The molecular formula of ChemDiv1_011522 is C19H16ClN3O3S.
What is the molecular weight of ChemDiv1_011522?
The molecular weight of ChemDiv1_011522 is 401.06 g/mol.
Where can I buy ChemDiv1_011522?
You can request a quote for ChemDiv1_011522 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_011522?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_011522 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.