ChemDiv1_008664
TL;DR: ChemDiv1_008664 (CAS 349441-36-7) is a chemical compound with molecular formula C17H16N6O5S2 and molecular weight 448.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide
Also Known As: ChemDiv1_008664, BAS 03033736, AJ-292/40797215, 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]acetamide, 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide
| Molecular Formula | C17H16N6O5S2 |
|---|---|
| Molecular Weight | 448.06 g/mol |
| LogP | 0.0856 |
| Topological Polar Surface Area | 137.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 448.06235 |
| Heavy Atoms | 30 |
| Complexity | 1557.2823 |
Chemical Identifiers
| CAS Number | 349441-36-7 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C |
Product Overview
ChemDiv1_008664 (CAS 349441-36-7), with molecular formula C17H16N6O5S2 and molecular weight 448.06 g/mol. IUPAC: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide.
Chemical Property Profile of ChemDiv1_008664
Property Insights of ChemDiv1_008664
The XLogP value of 0.0856 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_008664. The TPSA of 137.95 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_008664. Following Lipinski's Rule of Five, ChemDiv1_008664 has 1 hydrogen bond donor(s) and 8 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_008664?
The CAS number of ChemDiv1_008664 is 349441-36-7.
What is the molecular formula of ChemDiv1_008664?
The molecular formula of ChemDiv1_008664 is C17H16N6O5S2.
What is the molecular weight of ChemDiv1_008664?
The molecular weight of ChemDiv1_008664 is 448.06 g/mol.
Where can I buy ChemDiv1_008664?
You can request a quote for ChemDiv1_008664 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_008664?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_008664 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.