BAS 00639187
TL;DR: BAS 00639187 (CAS 331856-58-7) is a chemical compound with molecular formula C23H20N2O3 and molecular weight 372.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-(3-methoxyphenyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile
Also Known As: BAS 00639187, AB00078617-01, AB00078617-03, 2-amino-4-(3-methoxyphenyl)-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, 2-amino-4-(3-methoxyphenyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile
| Molecular Formula | C23H20N2O3 |
|---|---|
| Molecular Weight | 372.15 g/mol |
| LogP | 3.90368 |
| Topological Polar Surface Area | 85.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 372.1474 |
| Heavy Atoms | 28 |
| Complexity | 1031.313 |
Chemical Identifiers
| CAS Number | 331856-58-7 |
|---|---|
| SMILES | COC1=CC=CC(=C1)C2C(=C(OC3=C2C(=O)CC(C3)C4=CC=CC=C4)N)C#N |
Product Overview
BAS 00639187 (CAS 331856-58-7), with molecular formula C23H20N2O3 and molecular weight 372.15 g/mol. IUPAC: 2-amino-4-(3-methoxyphenyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile.
Chemical Property Profile of BAS 00639187
Property Insights of BAS 00639187
The XLogP value of 3.90368 indicates that BAS 00639187 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.34 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00639187. Following Lipinski's Rule of Five, BAS 00639187 has 1 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 00639187?
The CAS number of BAS 00639187 is 331856-58-7.
What is the molecular formula of BAS 00639187?
The molecular formula of BAS 00639187 is C23H20N2O3.
What is the molecular weight of BAS 00639187?
The molecular weight of BAS 00639187 is 372.15 g/mol.
Where can I buy BAS 00639187?
You can request a quote for BAS 00639187 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00639187?
Yes, KEHONG BIO provides custom synthesis services for BAS 00639187 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.