ChemDiv1_005415
TL;DR: ChemDiv1_005415 (CAS 326004-37-9) is a chemical compound with molecular formula C18H21N5O3S and molecular weight 387.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide
Also Known As: ChemDiv1_005415, SDCCGSBI-0661841.P001, AB00433062-04, AB00433062-10, AF-399/14739007
| Molecular Formula | C18H21N5O3S |
|---|---|
| Molecular Weight | 387.14 g/mol |
| LogP | 1.494 |
| Topological Polar Surface Area | 92.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 387.1365 |
| Heavy Atoms | 27 |
| Complexity | 1097.8679 |
Chemical Identifiers
| CAS Number | 326004-37-9 |
|---|---|
| SMILES | CC(C)N(C1=CC=CC=C1)C(=O)CSC2=NC3=C(N2)C(=O)N(C(=O)N3C)C |
Product Overview
ChemDiv1_005415 (CAS 326004-37-9), with molecular formula C18H21N5O3S and molecular weight 387.14 g/mol. IUPAC: 2-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide.
Chemical Property Profile of ChemDiv1_005415
Property Insights of ChemDiv1_005415
The XLogP value of 1.494 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_005415. The TPSA of 92.99 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_005415. Following Lipinski's Rule of Five, ChemDiv1_005415 has 1 hydrogen bond donor(s) and 5 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_005415?
The CAS number of ChemDiv1_005415 is 326004-37-9.
What is the molecular formula of ChemDiv1_005415?
The molecular formula of ChemDiv1_005415 is C18H21N5O3S.
What is the molecular weight of ChemDiv1_005415?
The molecular weight of ChemDiv1_005415 is 387.14 g/mol.
Where can I buy ChemDiv1_005415?
You can request a quote for ChemDiv1_005415 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_005415?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_005415 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.