ChemDiv1_003607
TL;DR: ChemDiv1_003607 (CAS 331235-64-4) is a chemical compound with molecular formula C20H23NO5 and molecular weight 357.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-amino-4-(4-hydroxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate
Also Known As: ChemDiv1_003607, BAS 00340211, J2.308.751K, ethyl 2-amino-4-(4-hydroxyphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate, 2-Amino-4-(4-hydroxyphenyl)-5-oxo-7,7-dimethyl-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carboxylic acid ethyl ester
| Molecular Formula | C20H23NO5 |
|---|---|
| Molecular Weight | 357.16 g/mol |
| LogP | 2.8826 |
| Topological Polar Surface Area | 98.85 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 357.15762 |
| Heavy Atoms | 26 |
| Complexity | 817.1082 |
Chemical Identifiers
| CAS Number | 331235-64-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC2=C(C1C3=CC=C(C=C3)O)C(=O)CC(C2)(C)C)N |
Product Overview
ChemDiv1_003607 (CAS 331235-64-4), with molecular formula C20H23NO5 and molecular weight 357.16 g/mol. IUPAC: ethyl 2-amino-4-(4-hydroxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate.
Chemical Property Profile of ChemDiv1_003607
Property Insights of ChemDiv1_003607
The XLogP value of 2.8826 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_003607. The TPSA of 98.85 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_003607. Following Lipinski's Rule of Five, ChemDiv1_003607 has 2 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 ChemDiv1_003607?
The CAS number of ChemDiv1_003607 is 331235-64-4.
What is the molecular formula of ChemDiv1_003607?
The molecular formula of ChemDiv1_003607 is C20H23NO5.
What is the molecular weight of ChemDiv1_003607?
The molecular weight of ChemDiv1_003607 is 357.16 g/mol.
Where can I buy ChemDiv1_003607?
You can request a quote for ChemDiv1_003607 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_003607?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_003607 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.