BAS 00758838
TL;DR: BAS 00758838 (CAS 305865-05-8) is a chemical compound with molecular formula C17H16ClNO4 and molecular weight 333.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-amino-4-(4-chlorophenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carboxylate
Also Known As: BAS 00758838, methyl 2-amino-4-(4-chlorophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate, A1120/0052539, methyl 2-amino-4-(4-chlorophenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carboxylate, methyl 2-amino-4-(4-chlorophenyl)-5-oxo-4H-6,7,8-trihydrochromene-3-carboxylat e
| Molecular Formula | C17H16ClNO4 |
|---|---|
| Molecular Weight | 333.08 g/mol |
| LogP | 2.8042 |
| Topological Polar Surface Area | 78.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 333.07678 |
| Heavy Atoms | 23 |
| Complexity | 733.4652 |
Chemical Identifiers
| CAS Number | 305865-05-8 |
|---|---|
| SMILES | COC(=O)C1=C(OC2=C(C1C3=CC=C(C=C3)Cl)C(=O)CCC2)N |
Product Overview
BAS 00758838 (CAS 305865-05-8), with molecular formula C17H16ClNO4 and molecular weight 333.08 g/mol. IUPAC: methyl 2-amino-4-(4-chlorophenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carboxylate.
Chemical Property Profile of BAS 00758838
Property Insights of BAS 00758838
The XLogP value of 2.8042 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00758838. The TPSA of 78.62 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00758838. Following Lipinski's Rule of Five, BAS 00758838 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 00758838?
The CAS number of BAS 00758838 is 305865-05-8.
What is the molecular formula of BAS 00758838?
The molecular formula of BAS 00758838 is C17H16ClNO4.
What is the molecular weight of BAS 00758838?
The molecular weight of BAS 00758838 is 333.08 g/mol.
Where can I buy BAS 00758838?
You can request a quote for BAS 00758838 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00758838?
Yes, KEHONG BIO provides custom synthesis services for BAS 00758838 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.