BAS 00758827
TL;DR: BAS 00758827 (CAS 107752-94-3) is a chemical compound with molecular formula C20H22FNO4 and molecular weight 359.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-amino-4-(3-fluorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate
Also Known As: BAS 00758827, AB00079327-01, ethyl 2-amino-4-(3-fluorophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate, ethyl 2-amino-4-(3-fluorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate, 2-amino-3-ethoxycarbonyl-4-(3-fluorophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4h-benzo[b]pyran
| Molecular Formula | C20H22FNO4 |
|---|---|
| Molecular Weight | 359.15 g/mol |
| LogP | 3.3161 |
| Topological Polar Surface Area | 78.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 359.1533 |
| Heavy Atoms | 26 |
| Complexity | 837.9679 |
Chemical Identifiers
| CAS Number | 107752-94-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC2=C(C1C3=CC(=CC=C3)F)C(=O)CC(C2)(C)C)N |
Product Overview
BAS 00758827 (CAS 107752-94-3), with molecular formula C20H22FNO4 and molecular weight 359.15 g/mol. IUPAC: ethyl 2-amino-4-(3-fluorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate.
Chemical Property Profile of BAS 00758827
Property Insights of BAS 00758827
The XLogP value of 3.3161 indicates that BAS 00758827 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 00758827. Following Lipinski's Rule of Five, BAS 00758827 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 00758827?
The CAS number of BAS 00758827 is 107752-94-3.
What is the molecular formula of BAS 00758827?
The molecular formula of BAS 00758827 is C20H22FNO4.
What is the molecular weight of BAS 00758827?
The molecular weight of BAS 00758827 is 359.15 g/mol.
Where can I buy BAS 00758827?
You can request a quote for BAS 00758827 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00758827?
Yes, KEHONG BIO provides custom synthesis services for BAS 00758827 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.