Propan-2-yl 3-chloro-6-nitro-1-benzothiophene-2-carboxylate
TL;DR: Propan-2-yl 3-chloro-6-nitro-1-benzothiophene-2-carboxylate (CAS 303136-14-3) is a chemical compound with molecular formula C12H10ClNO4S and molecular weight 299.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 3-chloro-6-nitro-1-benzothiophene-2-carboxylate
Also Known As: BAS 00751201, BIM-0028177.P001, propan-2-yl 3-chloro-6-nitro-1-benzothiophene-2-carboxylate, isopropyl 3-chloro-6-nitro-1-benzothiophene-2-carboxylate, methylethyl 3-chloro-6-nitrobenzo[b]thiophene-2-carboxylate
| Molecular Formula | C12H10ClNO4S |
|---|---|
| Molecular Weight | 299.00 g/mol |
| LogP | 4.0281 |
| Topological Polar Surface Area | 69.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 299.0019 |
| Heavy Atoms | 19 |
| Complexity | 665.03827 |
Chemical Identifiers
| CAS Number | 303136-14-3 |
|---|---|
| SMILES | CC(C)OC(=O)C1=C(C2=C(S1)C=C(C=C2)[N+](=O)[O-])Cl |
Product Overview
Propan-2-yl 3-chloro-6-nitro-1-benzothiophene-2-carboxylate (CAS 303136-14-3), with molecular formula C12H10ClNO4S and molecular weight 299.00 g/mol. IUPAC: propan-2-yl 3-chloro-6-nitro-1-benzothiophene-2-carboxylate.
Chemical Property Profile of Propan-2-yl 3-chloro-6-nitro-1-benzothiophene-2-carboxylate
Property Insights of Propan-2-yl 3-chloro-6-nitro-1-benzothiophene-2-carboxylate
The XLogP value of 4.0281 indicates that Propan-2-yl 3-chloro-6-nitro-1-benzothiophene-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.44 Ų falls within the moderate polarity range, balancing permeability and solubility for Propan-2-yl 3-chloro-6-nitro-1-benzothiophene-2-carboxylate. Following Lipinski's Rule of Five, Propan-2-yl 3-chloro-6-nitro-1-benzothiophene-2-carboxylate has 0 hydrogen bond donor(s) and 5 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-chloro-6-nitro-1-benzothiophene-2-carboxylate?
The CAS number of Propan-2-yl 3-chloro-6-nitro-1-benzothiophene-2-carboxylate is 303136-14-3.
What is the molecular formula of Propan-2-yl 3-chloro-6-nitro-1-benzothiophene-2-carboxylate?
The molecular formula of Propan-2-yl 3-chloro-6-nitro-1-benzothiophene-2-carboxylate is C12H10ClNO4S.
What is the molecular weight of Propan-2-yl 3-chloro-6-nitro-1-benzothiophene-2-carboxylate?
The molecular weight of Propan-2-yl 3-chloro-6-nitro-1-benzothiophene-2-carboxylate is 299.00 g/mol.
Where can I buy Propan-2-yl 3-chloro-6-nitro-1-benzothiophene-2-carboxylate?
You can request a quote for Propan-2-yl 3-chloro-6-nitro-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-chloro-6-nitro-1-benzothiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Propan-2-yl 3-chloro-6-nitro-1-benzothiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.