Methyl 3,6-dichlorobenzo(b)thiophene-2-carboxylate
TL;DR: Methyl 3,6-dichlorobenzo(b)thiophene-2-carboxylate (CAS 5570-17-2) is a chemical compound with molecular formula C10H6Cl2O2S and molecular weight 259.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3,6-dichloro-1-benzothiophene-2-carboxylate
Also Known As: Methyl 3,6-dichlorobenzo[b]thiophene-2-carboxylate, methyl 3,6-dichloro-1-benzothiophene-2-carboxylate, 7195AD, BIM-0025010.P001, METHYL36-DICHLOROBENZO THIOPHENE-2-&
| Molecular Formula | C10H6Cl2O2S |
|---|---|
| Molecular Weight | 259.95 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 54.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 259.94656 |
| Heavy Atoms | 15 |
| Complexity | 262.0 |
Chemical Identifiers
| CAS Number | 5570-17-2 |
|---|---|
| SMILES | COC(=O)C1=C(C2=C(S1)C=C(C=C2)Cl)Cl |
| InChIKey | ZVRUOIZSXBNGBH-UHFFFAOYSA-N |
Product Overview
Methyl 3,6-dichlorobenzo(b)thiophene-2-carboxylate (CAS 5570-17-2), with molecular formula C10H6Cl2O2S and molecular weight 259.95 g/mol. IUPAC: methyl 3,6-dichloro-1-benzothiophene-2-carboxylate.
Chemical Property Profile of Methyl 3,6-dichlorobenzo(b)thiophene-2-carboxylate
Property Insights of Methyl 3,6-dichlorobenzo(b)thiophene-2-carboxylate
The XLogP value of 4.4 indicates that Methyl 3,6-dichlorobenzo(b)thiophene-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.5 Ų, Methyl 3,6-dichlorobenzo(b)thiophene-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3,6-dichlorobenzo(b)thiophene-2-carboxylate has 0 hydrogen bond donor(s) and 3 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 Methyl 3,6-dichlorobenzo(b)thiophene-2-carboxylate?
The CAS number of Methyl 3,6-dichlorobenzo(b)thiophene-2-carboxylate is 5570-17-2.
What is the molecular formula of Methyl 3,6-dichlorobenzo(b)thiophene-2-carboxylate?
The molecular formula of Methyl 3,6-dichlorobenzo(b)thiophene-2-carboxylate is C10H6Cl2O2S.
What is the molecular weight of Methyl 3,6-dichlorobenzo(b)thiophene-2-carboxylate?
The molecular weight of Methyl 3,6-dichlorobenzo(b)thiophene-2-carboxylate is 259.95 g/mol.
Where can I buy Methyl 3,6-dichlorobenzo(b)thiophene-2-carboxylate?
You can request a quote for Methyl 3,6-dichlorobenzo(b)thiophene-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3,6-dichlorobenzo(b)thiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3,6-dichlorobenzo(b)thiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.