BAS 00667136
TL;DR: BAS 00667136 (CAS 304880-99-7) is a chemical compound with molecular formula C16H12F2N2O2 and molecular weight 302.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-(2,4-difluorophenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile
Also Known As: BAS 00667136, AB00078717-01, 2-amino-4-(2,4-difluorophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, A1283/0058564, 2-amino-4-(2,4-difluorophenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile
| Molecular Formula | C16H12F2N2O2 |
|---|---|
| Molecular Weight | 302.09 g/mol |
| LogP | 2.77958 |
| Topological Polar Surface Area | 76.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 302.08667 |
| Heavy Atoms | 22 |
| Complexity | 774.84076 |
Chemical Identifiers
| CAS Number | 304880-99-7 |
|---|---|
| SMILES | C1CC2=C(C(C(=C(O2)N)C#N)C3=C(C=C(C=C3)F)F)C(=O)C1 |
Product Overview
BAS 00667136 (CAS 304880-99-7), with molecular formula C16H12F2N2O2 and molecular weight 302.09 g/mol. IUPAC: 2-amino-4-(2,4-difluorophenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile.
Chemical Property Profile of BAS 00667136
Property Insights of BAS 00667136
The XLogP value of 2.77958 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00667136. The TPSA of 76.11 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00667136. Following Lipinski's Rule of Five, BAS 00667136 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 BAS 00667136?
The CAS number of BAS 00667136 is 304880-99-7.
What is the molecular formula of BAS 00667136?
The molecular formula of BAS 00667136 is C16H12F2N2O2.
What is the molecular weight of BAS 00667136?
The molecular weight of BAS 00667136 is 302.09 g/mol.
Where can I buy BAS 00667136?
You can request a quote for BAS 00667136 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00667136?
Yes, KEHONG BIO provides custom synthesis services for BAS 00667136 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.