BAS 00453102
TL;DR: BAS 00453102 (CAS 330656-46-7) is a chemical compound with molecular formula C22H27NO4 and molecular weight 369.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-amino-4-(2,4-dimethylphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate
Also Known As: BAS 00453102, ethyl 2-amino-4-(2,4-dimethylphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate, ethyl 2-amino-4-(2,4-dimethylphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate, ethyl 2-amino-4-(2,4-dimethylphenyl)-7,7-dimethyl-5-oxo-4H-6,7,8-trihydrochrom ene-3-carboxylate
| Molecular Formula | C22H27NO4 |
|---|---|
| Molecular Weight | 369.19 g/mol |
| LogP | 3.79384 |
| Topological Polar Surface Area | 78.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 369.194 |
| Heavy Atoms | 27 |
| Complexity | 876.299 |
Chemical Identifiers
| CAS Number | 330656-46-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC2=C(C1C3=C(C=C(C=C3)C)C)C(=O)CC(C2)(C)C)N |
Product Overview
BAS 00453102 (CAS 330656-46-7), with molecular formula C22H27NO4 and molecular weight 369.19 g/mol. IUPAC: ethyl 2-amino-4-(2,4-dimethylphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate.
Chemical Property Profile of BAS 00453102
Property Insights of BAS 00453102
The XLogP value of 3.79384 indicates that BAS 00453102 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 00453102. Following Lipinski's Rule of Five, BAS 00453102 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 00453102?
The CAS number of BAS 00453102 is 330656-46-7.
What is the molecular formula of BAS 00453102?
The molecular formula of BAS 00453102 is C22H27NO4.
What is the molecular weight of BAS 00453102?
The molecular weight of BAS 00453102 is 369.19 g/mol.
Where can I buy BAS 00453102?
You can request a quote for BAS 00453102 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00453102?
Yes, KEHONG BIO provides custom synthesis services for BAS 00453102 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.