BAS 00758704
TL;DR: BAS 00758704 (CAS 333340-99-1) is a chemical compound with molecular formula C21H25NO5 and molecular weight 371.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-amino-4-(2-methoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate
Also Known As: BAS 00758704, ethyl 2-amino-4-(2-methoxyphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate, J3.004.005H, Ethyl 2-amino-5,6,7,8-tetrahydro-4-(2-methoxyphenyl)-7,7-dimethyl-5-oxo-4H-1-benzopyran-3-carboxylate, ethyl 2-amino-4-(2-methoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate
| Molecular Formula | C21H25NO5 |
|---|---|
| Molecular Weight | 371.17 g/mol |
| LogP | 3.1856 |
| Topological Polar Surface Area | 87.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 371.17328 |
| Heavy Atoms | 27 |
| Complexity | 849.8829 |
Chemical Identifiers
| CAS Number | 333340-99-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC2=C(C1C3=CC=CC=C3OC)C(=O)CC(C2)(C)C)N |
Product Overview
BAS 00758704 (CAS 333340-99-1), with molecular formula C21H25NO5 and molecular weight 371.17 g/mol. IUPAC: ethyl 2-amino-4-(2-methoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate.
Chemical Property Profile of BAS 00758704
Property Insights of BAS 00758704
The XLogP value of 3.1856 indicates that BAS 00758704 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.85 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00758704. Following Lipinski's Rule of Five, BAS 00758704 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 00758704?
The CAS number of BAS 00758704 is 333340-99-1.
What is the molecular formula of BAS 00758704?
The molecular formula of BAS 00758704 is C21H25NO5.
What is the molecular weight of BAS 00758704?
The molecular weight of BAS 00758704 is 371.17 g/mol.
Where can I buy BAS 00758704?
You can request a quote for BAS 00758704 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00758704?
Yes, KEHONG BIO provides custom synthesis services for BAS 00758704 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.