BAS 00666603
TL;DR: BAS 00666603 (CAS 294874-38-7) is a chemical compound with molecular formula C16H13FN4O3 and molecular weight 328.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-amino-5-(4-fluorophenyl)-1,3-dimethyl-2,4-dioxo-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
Also Known As: BAS 00666603, 7-Amino-5-(4-fluorophenyl)-1,3-dimethyl-2,4-dioxo-1,3,4,5-tetrahydro-2H-pyrano[2,3-d]pyrimidine-6-carbonitrile, AE-848/36646011, 7-amino-5-(4-fluorophenyl)-1,3-dimethyl-2,4-dioxo-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile, A1183/0054742
| Molecular Formula | C16H13FN4O3 |
|---|---|
| Molecular Weight | 328.10 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 99.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 328.09717 |
| Heavy Atoms | 24 |
| Complexity | 712.0 |
Chemical Identifiers
| CAS Number | 294874-38-7 |
|---|---|
| SMILES | CN1C2=C(C(C(=C(O2)N)C#N)C3=CC=C(C=C3)F)C(=O)N(C1=O)C |
| InChIKey | ACBYBPHAAZITMX-UHFFFAOYSA-N |
Product Overview
BAS 00666603 (CAS 294874-38-7), with molecular formula C16H13FN4O3 and molecular weight 328.10 g/mol. IUPAC: 7-amino-5-(4-fluorophenyl)-1,3-dimethyl-2,4-dioxo-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile.
Chemical Property Profile of BAS 00666603
Property Insights of BAS 00666603
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00666603. The TPSA of 99.7 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00666603. Following Lipinski's Rule of Five, BAS 00666603 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 00666603?
The CAS number of BAS 00666603 is 294874-38-7.
What is the molecular formula of BAS 00666603?
The molecular formula of BAS 00666603 is C16H13FN4O3.
What is the molecular weight of BAS 00666603?
The molecular weight of BAS 00666603 is 328.10 g/mol.
Where can I buy BAS 00666603?
You can request a quote for BAS 00666603 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00666603?
Yes, KEHONG BIO provides custom synthesis services for BAS 00666603 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.