BAS 00779457
TL;DR: BAS 00779457 (CAS 299441-15-9) is a chemical compound with molecular formula C14H8Cl2N4O3 and molecular weight 350.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-amino-5-(2,4-dichlorophenyl)-2,4-dioxo-1,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile
Also Known As: BAS 00779457, J3.470.442B, 7-amino-5-(2,4-dichlorophenyl)-2,4-dioxo-1,3,4,5-tetrahydro-2H-pyrano[2,3-d]pyrimidine-6-carbonitrile, 5-(2,4-Dichlorophenyl)-6-cyano-7-amino-1,2,3,4-tetrahydro-5H-pyrano[2,3-d]pyrimidine-2,4-dione, 2,4-Dioxo-5-(2,4-dichlorophenyl)-7-amino-1,2,3,4-tetrahydro-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
| Molecular Formula | C14H8Cl2N4O3 |
|---|---|
| Molecular Weight | 350.00 g/mol |
| LogP | 1.58818 |
| Topological Polar Surface Area | 124.76 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 349.99734 |
| Heavy Atoms | 23 |
| Complexity | 1000.3027 |
Chemical Identifiers
| CAS Number | 299441-15-9 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)Cl)C2C(=C(OC3=C2C(=O)NC(=O)N3)N)C#N |
Product Overview
BAS 00779457 (CAS 299441-15-9), with molecular formula C14H8Cl2N4O3 and molecular weight 350.00 g/mol. IUPAC: 7-amino-5-(2,4-dichlorophenyl)-2,4-dioxo-1,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile.
Chemical Property Profile of BAS 00779457
Property Insights of BAS 00779457
The XLogP value of 1.58818 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00779457. The TPSA of 124.76 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00779457. Following Lipinski's Rule of Five, BAS 00779457 has 3 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 BAS 00779457?
The CAS number of BAS 00779457 is 299441-15-9.
What is the molecular formula of BAS 00779457?
The molecular formula of BAS 00779457 is C14H8Cl2N4O3.
What is the molecular weight of BAS 00779457?
The molecular weight of BAS 00779457 is 350.00 g/mol.
Where can I buy BAS 00779457?
You can request a quote for BAS 00779457 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00779457?
Yes, KEHONG BIO provides custom synthesis services for BAS 00779457 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.