ChemDiv1_001807
TL;DR: ChemDiv1_001807 (CAS 80761-90-6) is a chemical compound with molecular formula C23H27NO5S and molecular weight 429.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[6-hexyl-3-(2-methyl-1,3-thiazol-4-yl)-4-oxochromen-7-yl]oxyacetate
Also Known As: ChemDiv1_001807, 3-(2-Methyl-4-thiazolyl)-6-hexyl-7-ethoxycarbonylmethoxychromanone, Acetic acid, 2-(6-hexyl-3-(2-methylthiazol-4-yl)-4-oxo-4H-1-benzopyran-7-yloxy)-, ethyl ester, 2-(6-Hexyl-3-(2-methylthiazol-4-yl)-4-oxo-4H-1-benzopyran-7-yloxy)acetic acid ethyl ester, ETHYL 2-{[6-HEXYL-3-(2-METHYL-1,3-THIAZOL-4-YL)-4-OXO-4H-CHROMEN-7-YL]OXY}ACETATE
| Molecular Formula | C23H27NO5S |
|---|---|
| Molecular Weight | 429.16 g/mol |
| LogP | 5.28962 |
| Topological Polar Surface Area | 78.63 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 429.16098 |
| Heavy Atoms | 30 |
| Complexity | 1069.131 |
Chemical Identifiers
| CAS Number | 80761-90-6 |
|---|---|
| SMILES | CCCCCCC1=CC2=C(C=C1OCC(=O)OCC)OC=C(C2=O)C3=CSC(=N3)C |
Product Overview
ChemDiv1_001807 (CAS 80761-90-6), with molecular formula C23H27NO5S and molecular weight 429.16 g/mol. IUPAC: ethyl 2-[6-hexyl-3-(2-methyl-1,3-thiazol-4-yl)-4-oxochromen-7-yl]oxyacetate.
Chemical Property Profile of ChemDiv1_001807
Property Insights of ChemDiv1_001807
The XLogP value of 5.28962 indicates that ChemDiv1_001807 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.63 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_001807. Following Lipinski's Rule of Five, ChemDiv1_001807 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_001807?
The CAS number of ChemDiv1_001807 is 80761-90-6.
What is the molecular formula of ChemDiv1_001807?
The molecular formula of ChemDiv1_001807 is C23H27NO5S.
What is the molecular weight of ChemDiv1_001807?
The molecular weight of ChemDiv1_001807 is 429.16 g/mol.
Where can I buy ChemDiv1_001807?
You can request a quote for ChemDiv1_001807 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_001807?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_001807 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.