BAS 00639212
TL;DR: BAS 00639212 (CAS 311326-56-4) is a chemical compound with molecular formula C22H17N3O4 and molecular weight 387.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-(4-nitrophenyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile
Also Known As: BAS 00639212, AB00078683-01, 2-amino-4-(4-nitrophenyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile, A1283/0058576, 2-amino-4-(4-nitrophenyl)-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
| Molecular Formula | C22H17N3O4 |
|---|---|
| Molecular Weight | 387.12 g/mol |
| LogP | 3.80328 |
| Topological Polar Surface Area | 119.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 387.12192 |
| Heavy Atoms | 29 |
| Complexity | 1095.1273 |
Chemical Identifiers
| CAS Number | 311326-56-4 |
|---|---|
| SMILES | C1C(CC(=O)C2=C1OC(=C(C2C3=CC=C(C=C3)[N+](=O)[O-])C#N)N)C4=CC=CC=C4 |
Product Overview
BAS 00639212 (CAS 311326-56-4), with molecular formula C22H17N3O4 and molecular weight 387.12 g/mol. IUPAC: 2-amino-4-(4-nitrophenyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile.
Chemical Property Profile of BAS 00639212
Property Insights of BAS 00639212
The XLogP value of 3.80328 indicates that BAS 00639212 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.25 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00639212. Following Lipinski's Rule of Five, BAS 00639212 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 00639212?
The CAS number of BAS 00639212 is 311326-56-4.
What is the molecular formula of BAS 00639212?
The molecular formula of BAS 00639212 is C22H17N3O4.
What is the molecular weight of BAS 00639212?
The molecular weight of BAS 00639212 is 387.12 g/mol.
Where can I buy BAS 00639212?
You can request a quote for BAS 00639212 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00639212?
Yes, KEHONG BIO provides custom synthesis services for BAS 00639212 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.