Propan-2-yl 3,6-dichloro-1-benzothiophene-2-carboxylate
TL;DR: Propan-2-yl 3,6-dichloro-1-benzothiophene-2-carboxylate (CAS 438532-23-1) is a chemical compound with molecular formula C12H10Cl2O2S and molecular weight 287.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 3,6-dichloro-1-benzothiophene-2-carboxylate
Also Known As: propan-2-yl 3,6-dichloro-1-benzothiophene-2-carboxylate, 1-Methylethyl 3,6-dichlorobenzo[b]thiophene-2-carboxylate, isopropyl 3,6-dichloro-1-benzothiophene-2-carboxylate, methylethyl 3,6-dichlorobenzo[b]thiophene-2-carboxylate
| Molecular Formula | C12H10Cl2O2S |
|---|---|
| Molecular Weight | 287.98 g/mol |
| LogP | 4.7733 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 287.97784 |
| Heavy Atoms | 17 |
| Complexity | 575.13446 |
Chemical Identifiers
| CAS Number | 438532-23-1 |
|---|---|
| SMILES | CC(C)OC(=O)C1=C(C2=C(S1)C=C(C=C2)Cl)Cl |
Product Overview
Propan-2-yl 3,6-dichloro-1-benzothiophene-2-carboxylate (CAS 438532-23-1), with molecular formula C12H10Cl2O2S and molecular weight 287.98 g/mol. IUPAC: propan-2-yl 3,6-dichloro-1-benzothiophene-2-carboxylate.
Chemical Property Profile of Propan-2-yl 3,6-dichloro-1-benzothiophene-2-carboxylate
Property Insights of Propan-2-yl 3,6-dichloro-1-benzothiophene-2-carboxylate
The XLogP value of 4.7733 indicates that Propan-2-yl 3,6-dichloro-1-benzothiophene-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Propan-2-yl 3,6-dichloro-1-benzothiophene-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propan-2-yl 3,6-dichloro-1-benzothiophene-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 Propan-2-yl 3,6-dichloro-1-benzothiophene-2-carboxylate?
The CAS number of Propan-2-yl 3,6-dichloro-1-benzothiophene-2-carboxylate is 438532-23-1.
What is the molecular formula of Propan-2-yl 3,6-dichloro-1-benzothiophene-2-carboxylate?
The molecular formula of Propan-2-yl 3,6-dichloro-1-benzothiophene-2-carboxylate is C12H10Cl2O2S.
What is the molecular weight of Propan-2-yl 3,6-dichloro-1-benzothiophene-2-carboxylate?
The molecular weight of Propan-2-yl 3,6-dichloro-1-benzothiophene-2-carboxylate is 287.98 g/mol.
Where can I buy Propan-2-yl 3,6-dichloro-1-benzothiophene-2-carboxylate?
You can request a quote for Propan-2-yl 3,6-dichloro-1-benzothiophene-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propan-2-yl 3,6-dichloro-1-benzothiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Propan-2-yl 3,6-dichloro-1-benzothiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.