ChemDiv1_005778
TL;DR: ChemDiv1_005778 (CAS 337500-68-2) is a chemical compound with molecular formula C20H29NO4 and molecular weight 347.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-amino-4-cyclohexyl-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate
Also Known As: ChemDiv1_005778, VU0092162-5, ethyl 2-amino-4-cyclohexyl-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate, A2500/0106370, ethyl 2-amino-4-cyclohexyl-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate
| Molecular Formula | C20H29NO4 |
|---|---|
| Molecular Weight | 347.21 g/mol |
| LogP | 3.5897 |
| Topological Polar Surface Area | 78.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 347.20966 |
| Heavy Atoms | 25 |
| Complexity | 638.0816 |
Chemical Identifiers
| CAS Number | 337500-68-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC2=C(C1C3CCCCC3)C(=O)CC(C2)(C)C)N |
Product Overview
ChemDiv1_005778 (CAS 337500-68-2), with molecular formula C20H29NO4 and molecular weight 347.21 g/mol. IUPAC: ethyl 2-amino-4-cyclohexyl-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate.
Chemical Property Profile of ChemDiv1_005778
Property Insights of ChemDiv1_005778
The XLogP value of 3.5897 indicates that ChemDiv1_005778 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 ChemDiv1_005778. Following Lipinski's Rule of Five, ChemDiv1_005778 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 ChemDiv1_005778?
The CAS number of ChemDiv1_005778 is 337500-68-2.
What is the molecular formula of ChemDiv1_005778?
The molecular formula of ChemDiv1_005778 is C20H29NO4.
What is the molecular weight of ChemDiv1_005778?
The molecular weight of ChemDiv1_005778 is 347.21 g/mol.
Where can I buy ChemDiv1_005778?
You can request a quote for ChemDiv1_005778 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_005778?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_005778 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.