ChemDiv3_010067
TL;DR: ChemDiv3_010067 (CAS 904444-38-8) is a chemical compound with molecular formula C26H28N2O5S and molecular weight 480.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[6-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]-1,2,3,4-tetrahydroacridin-9-yl]sulfanyl]acetic acid
Also Known As: ChemDiv3_010067, IDI1_027977, BRD-K76963593-001-01-4, 2-[[6-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]-1,2,3,4-tetrahydroacridin-9-yl]sulfanyl]acetic acid, {[6-({[2-(3,4-dimethoxyphenyl)ethyl]amino}carbonyl)-1,2,3,4-tetrahydroacridin-9-yl]thio}acetic acid
| Molecular Formula | C26H28N2O5S |
|---|---|
| Molecular Weight | 480.17 g/mol |
| LogP | 4.28 |
| Topological Polar Surface Area | 97.75 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 480.1719 |
| Heavy Atoms | 34 |
| Complexity | 1227.5269 |
Chemical Identifiers
| CAS Number | 904444-38-8 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCNC(=O)C2=CC3=C(C=C2)C(=C4CCCCC4=N3)SCC(=O)O)OC |
Product Overview
ChemDiv3_010067 (CAS 904444-38-8), with molecular formula C26H28N2O5S and molecular weight 480.17 g/mol. IUPAC: 2-[[6-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]-1,2,3,4-tetrahydroacridin-9-yl]sulfanyl]acetic acid.
Chemical Property Profile of ChemDiv3_010067
Property Insights of ChemDiv3_010067
The XLogP value of 4.28 indicates that ChemDiv3_010067 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.75 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_010067. Following Lipinski's Rule of Five, ChemDiv3_010067 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 ChemDiv3_010067?
The CAS number of ChemDiv3_010067 is 904444-38-8.
What is the molecular formula of ChemDiv3_010067?
The molecular formula of ChemDiv3_010067 is C26H28N2O5S.
What is the molecular weight of ChemDiv3_010067?
The molecular weight of ChemDiv3_010067 is 480.17 g/mol.
Where can I buy ChemDiv3_010067?
You can request a quote for ChemDiv3_010067 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_010067?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_010067 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.