ChemDiv1_003651
TL;DR: ChemDiv1_003651 (CAS 302570-76-9) is a chemical compound with molecular formula C22H27NO6 and molecular weight 401.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-amino-4-(3,4-dimethoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate
Also Known As: ChemDiv1_003651, J1.648.712K, AB00076821-01, ethyl 2-amino-4-(3,4-dimethoxyphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate, A0524/0024252
| Molecular Formula | C22H27NO6 |
|---|---|
| Molecular Weight | 401.18 g/mol |
| LogP | 3.1942 |
| Topological Polar Surface Area | 97.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 401.18384 |
| Heavy Atoms | 29 |
| Complexity | 911.8776 |
Chemical Identifiers
| CAS Number | 302570-76-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC2=C(C1C3=CC(=C(C=C3)OC)OC)C(=O)CC(C2)(C)C)N |
Product Overview
ChemDiv1_003651 (CAS 302570-76-9), with molecular formula C22H27NO6 and molecular weight 401.18 g/mol. IUPAC: ethyl 2-amino-4-(3,4-dimethoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate.
Chemical Property Profile of ChemDiv1_003651
Property Insights of ChemDiv1_003651
The XLogP value of 3.1942 indicates that ChemDiv1_003651 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.08 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_003651. Following Lipinski's Rule of Five, ChemDiv1_003651 has 1 hydrogen bond donor(s) and 7 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 ChemDiv1_003651?
The CAS number of ChemDiv1_003651 is 302570-76-9.
What is the molecular formula of ChemDiv1_003651?
The molecular formula of ChemDiv1_003651 is C22H27NO6.
What is the molecular weight of ChemDiv1_003651?
The molecular weight of ChemDiv1_003651 is 401.18 g/mol.
Where can I buy ChemDiv1_003651?
You can request a quote for ChemDiv1_003651 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_003651?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_003651 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.