![5-chloro-2-[(4-chlorophenoxy)methyl]-3-[(4-methylphenoxy)methyl]-1-benzothiophene structure](/static/products/4071/40713-19-7.webp)
5-chloro-2-[(4-chlorophenoxy)methyl]-3-[(4-methylphenoxy)methyl]-1-benzothiophene
TL;DR: 5-chloro-2-[(4-chlorophenoxy)methyl]-3-[(4-methylphenoxy)methyl]-1-benzothiophene (CAS 40713-19-7) is a chemical compound with molecular formula C23H18Cl2O2S and molecular weight 428.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-2-[(4-chlorophenoxy)methyl]-3-[(4-methylphenoxy)methyl]-1-benzothiophene
Also Known As: 5-chloro-2-[(4-chlorophenoxy)methyl]-3-[(4-methylphenoxy)methyl]-1-benzothiophene, 2-cyano-2H-quinoline-1-carboxylic acid phenyl ester, 5-chloro-2-[(4-chlorophenoxy)methyl]-3-[(4-methylphenoxy)met
| Molecular Formula | C23H18Cl2O2S |
|---|---|
| Molecular Weight | 428.04 g/mol |
| LogP | 7.5 |
| Topological Polar Surface Area | 46.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 428.04047 |
| Heavy Atoms | 28 |
| Complexity | 477.0 |
Chemical Identifiers
| CAS Number | 40713-19-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)OCC2=C(SC3=C2C=C(C=C3)Cl)COC4=CC=C(C=C4)Cl |
| InChIKey | XBJRRJYJCNUWFD-UHFFFAOYSA-N |
Product Overview
5-chloro-2-[(4-chlorophenoxy)methyl]-3-[(4-methylphenoxy)methyl]-1-benzothiophene (CAS 40713-19-7), with molecular formula C23H18Cl2O2S and molecular weight 428.04 g/mol. IUPAC: 5-chloro-2-[(4-chlorophenoxy)methyl]-3-[(4-methylphenoxy)methyl]-1-benzothiophene.
Chemical Property Profile of 5-chloro-2-[(4-chlorophenoxy)methyl]-3-[(4-methylphenoxy)methyl]-1-benzothiophene
Property Insights of 5-chloro-2-[(4-chlorophenoxy)methyl]-3-[(4-methylphenoxy)methyl]-1-benzothiophene
The XLogP value of 7.5 indicates that 5-chloro-2-[(4-chlorophenoxy)methyl]-3-[(4-methylphenoxy)methyl]-1-benzothiophene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.7 Ų, 5-chloro-2-[(4-chlorophenoxy)methyl]-3-[(4-methylphenoxy)methyl]-1-benzothiophene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-chloro-2-[(4-chlorophenoxy)methyl]-3-[(4-methylphenoxy)methyl]-1-benzothiophene has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-chloro-2-[(4-chlorophenoxy)methyl]-3-[(4-methylphenoxy)methyl]-1-benzothiophene?
The CAS number of 5-chloro-2-[(4-chlorophenoxy)methyl]-3-[(4-methylphenoxy)methyl]-1-benzothiophene is 40713-19-7.
What is the molecular formula of 5-chloro-2-[(4-chlorophenoxy)methyl]-3-[(4-methylphenoxy)methyl]-1-benzothiophene?
The molecular formula of 5-chloro-2-[(4-chlorophenoxy)methyl]-3-[(4-methylphenoxy)methyl]-1-benzothiophene is C23H18Cl2O2S.
What is the molecular weight of 5-chloro-2-[(4-chlorophenoxy)methyl]-3-[(4-methylphenoxy)methyl]-1-benzothiophene?
The molecular weight of 5-chloro-2-[(4-chlorophenoxy)methyl]-3-[(4-methylphenoxy)methyl]-1-benzothiophene is 428.04 g/mol.
Where can I buy 5-chloro-2-[(4-chlorophenoxy)methyl]-3-[(4-methylphenoxy)methyl]-1-benzothiophene?
You can request a quote for 5-chloro-2-[(4-chlorophenoxy)methyl]-3-[(4-methylphenoxy)methyl]-1-benzothiophene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-chloro-2-[(4-chlorophenoxy)methyl]-3-[(4-methylphenoxy)methyl]-1-benzothiophene?
Yes, KEHONG BIO provides custom synthesis services for 5-chloro-2-[(4-chlorophenoxy)methyl]-3-[(4-methylphenoxy)methyl]-1-benzothiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.