BAS 00779601
TL;DR: BAS 00779601 (CAS 326915-52-0) is a chemical compound with molecular formula C18H18ClNO4 and molecular weight 347.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-amino-4-(3-chlorophenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carboxylate
Also Known As: BAS 00779601, ethyl 2-amino-4-(3-chlorophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate, J2.910.957E, AE-848/10130039, ethyl 2-amino-4-(3-chlorophenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carboxylate
| Molecular Formula | C18H18ClNO4 |
|---|---|
| Molecular Weight | 347.09 g/mol |
| LogP | 3.1943 |
| Topological Polar Surface Area | 78.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 347.09244 |
| Heavy Atoms | 24 |
| Complexity | 766.0372 |
Chemical Identifiers
| CAS Number | 326915-52-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC2=C(C1C3=CC(=CC=C3)Cl)C(=O)CCC2)N |
Product Overview
BAS 00779601 (CAS 326915-52-0), with molecular formula C18H18ClNO4 and molecular weight 347.09 g/mol. IUPAC: ethyl 2-amino-4-(3-chlorophenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carboxylate.
Chemical Property Profile of BAS 00779601
Property Insights of BAS 00779601
The XLogP value of 3.1943 indicates that BAS 00779601 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.62 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00779601. Following Lipinski's Rule of Five, BAS 00779601 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 00779601?
The CAS number of BAS 00779601 is 326915-52-0.
What is the molecular formula of BAS 00779601?
The molecular formula of BAS 00779601 is C18H18ClNO4.
What is the molecular weight of BAS 00779601?
The molecular weight of BAS 00779601 is 347.09 g/mol.
Where can I buy BAS 00779601?
You can request a quote for BAS 00779601 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00779601?
Yes, KEHONG BIO provides custom synthesis services for BAS 00779601 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.