BAS 01130036
TL;DR: BAS 01130036 (CAS 332117-63-2) is a chemical compound with molecular formula C15H13F2N5O3 and molecular weight 349.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,4-difluorophenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide
Also Known As: BAS 01130036, N-(2,4-difluorophenyl)-2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamide, VU0033026-2, N-(2,4-difluorophenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide, F0921-0935
| Molecular Formula | C15H13F2N5O3 |
|---|---|
| Molecular Weight | 349.10 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 87.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 349.09863 |
| Heavy Atoms | 25 |
| Complexity | 577.0 |
Chemical Identifiers
| CAS Number | 332117-63-2 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NC3=C(C=C(C=C3)F)F |
| InChIKey | WDEHPLMHKQYELU-UHFFFAOYSA-N |
Product Overview
BAS 01130036 (CAS 332117-63-2), with molecular formula C15H13F2N5O3 and molecular weight 349.10 g/mol. IUPAC: N-(2,4-difluorophenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide.
Chemical Property Profile of BAS 01130036
Property Insights of BAS 01130036
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 01130036. The TPSA of 87.5 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01130036. Following Lipinski's Rule of Five, BAS 01130036 has 1 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 BAS 01130036?
The CAS number of BAS 01130036 is 332117-63-2.
What is the molecular formula of BAS 01130036?
The molecular formula of BAS 01130036 is C15H13F2N5O3.
What is the molecular weight of BAS 01130036?
The molecular weight of BAS 01130036 is 349.10 g/mol.
Where can I buy BAS 01130036?
You can request a quote for BAS 01130036 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01130036?
Yes, KEHONG BIO provides custom synthesis services for BAS 01130036 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.