ChemDiv1_008235
TL;DR: ChemDiv1_008235 (CAS 380879-83-4) is a chemical compound with molecular formula C27H27ClN2O5S and molecular weight 526.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-chloro-5-ethoxy-4-[2-(2-methoxyphenoxy)ethoxy]phenyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: ChemDiv1_008235, DivK1c_002875, CDS1_001835, 2-{3-chloro-5-ethoxy-4-[2-(2-methoxyphenoxy)ethoxy]phenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one, AO-299/14934019
| Molecular Formula | C27H27ClN2O5S |
|---|---|
| Molecular Weight | 526.13 g/mol |
| LogP | 6.0489 |
| Topological Polar Surface Area | 82.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 526.13293 |
| Heavy Atoms | 36 |
| Complexity | 1448.3661 |
Chemical Identifiers
| CAS Number | 380879-83-4 |
|---|---|
| SMILES | CCOC1=C(C(=CC(=C1)C2=NC3=C(C4=C(S3)CCCC4)C(=O)N2)Cl)OCCOC5=CC=CC=C5OC |
Product Overview
ChemDiv1_008235 (CAS 380879-83-4), with molecular formula C27H27ClN2O5S and molecular weight 526.13 g/mol. IUPAC: 2-[3-chloro-5-ethoxy-4-[2-(2-methoxyphenoxy)ethoxy]phenyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one.
Chemical Property Profile of ChemDiv1_008235
Property Insights of ChemDiv1_008235
The XLogP value of 6.0489 indicates that ChemDiv1_008235 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.67 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_008235. Following Lipinski's Rule of Five, ChemDiv1_008235 has 1 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_008235?
The CAS number of ChemDiv1_008235 is 380879-83-4.
What is the molecular formula of ChemDiv1_008235?
The molecular formula of ChemDiv1_008235 is C27H27ClN2O5S.
What is the molecular weight of ChemDiv1_008235?
The molecular weight of ChemDiv1_008235 is 526.13 g/mol.
Where can I buy ChemDiv1_008235?
You can request a quote for ChemDiv1_008235 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_008235?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_008235 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.