ChemDiv1_005894
TL;DR: ChemDiv1_005894 (CAS 332117-60-9) is a chemical compound with molecular formula C16H16BrN5O3 and molecular weight 405.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-bromo-2-methylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide
Also Known As: ChemDiv1_005894, BAS 01130032, BIM-0035636.P001, AB01311018-01, N-(4-bromo-2-methylphenyl)-2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamide
| Molecular Formula | C16H16BrN5O3 |
|---|---|
| Molecular Weight | 405.04 g/mol |
| LogP | 1.14332 |
| Topological Polar Surface Area | 90.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 405.04364 |
| Heavy Atoms | 25 |
| Complexity | 1109.3812 |
Chemical Identifiers
| CAS Number | 332117-60-9 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)Br)NC(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C |
Product Overview
ChemDiv1_005894 (CAS 332117-60-9), with molecular formula C16H16BrN5O3 and molecular weight 405.04 g/mol. IUPAC: N-(4-bromo-2-methylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide.
Chemical Property Profile of ChemDiv1_005894
Property Insights of ChemDiv1_005894
The XLogP value of 1.14332 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_005894. The TPSA of 90.92 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_005894. Following Lipinski's Rule of Five, ChemDiv1_005894 has 1 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_005894?
The CAS number of ChemDiv1_005894 is 332117-60-9.
What is the molecular formula of ChemDiv1_005894?
The molecular formula of ChemDiv1_005894 is C16H16BrN5O3.
What is the molecular weight of ChemDiv1_005894?
The molecular weight of ChemDiv1_005894 is 405.04 g/mol.
Where can I buy ChemDiv1_005894?
You can request a quote for ChemDiv1_005894 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_005894?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_005894 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.