1-({3-Chloro-6-nitro-1-benzothien-2-yl}carbonyl)-3-methylpiperidine
TL;DR: 1-({3-Chloro-6-nitro-1-benzothien-2-yl}carbonyl)-3-methylpiperidine (CAS 351981-95-8) is a chemical compound with molecular formula C15H15ClN2O3S and molecular weight 338.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-chloro-6-nitro-1-benzothiophen-2-yl)-(3-methylpiperidin-1-yl)methanone
Also Known As: BIM-0032379.P001, 1-({3-chloro-6-nitro-1-benzothien-2-yl}carbonyl)-3-methylpiperidine, (3-chloro-6-nitro-1-benzothiophen-2-yl)(3-methylpiperidin-1-yl)methanone, (3-chloro-6-nitro-1-benzothiophen-2-yl)-(3-methylpiperidin-1-yl)methanone, 3-chloro-6-nitrobenzo[b]thiophen-2-yl 3-methylpiperidyl ketone
| Molecular Formula | C15H15ClN2O3S |
|---|---|
| Molecular Weight | 338.05 g/mol |
| LogP | 4.335 |
| Topological Polar Surface Area | 63.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 338.0492 |
| Heavy Atoms | 22 |
| Complexity | 758.5707 |
Chemical Identifiers
| CAS Number | 351981-95-8 |
|---|---|
| SMILES | CC1CCCN(C1)C(=O)C2=C(C3=C(S2)C=C(C=C3)[N+](=O)[O-])Cl |
Product Overview
1-({3-Chloro-6-nitro-1-benzothien-2-yl}carbonyl)-3-methylpiperidine (CAS 351981-95-8), with molecular formula C15H15ClN2O3S and molecular weight 338.05 g/mol. IUPAC: (3-chloro-6-nitro-1-benzothiophen-2-yl)-(3-methylpiperidin-1-yl)methanone.
Chemical Property Profile of 1-({3-Chloro-6-nitro-1-benzothien-2-yl}carbonyl)-3-methylpiperidine
Property Insights of 1-({3-Chloro-6-nitro-1-benzothien-2-yl}carbonyl)-3-methylpiperidine
The XLogP value of 4.335 indicates that 1-({3-Chloro-6-nitro-1-benzothien-2-yl}carbonyl)-3-methylpiperidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.45 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-({3-Chloro-6-nitro-1-benzothien-2-yl}carbonyl)-3-methylpiperidine. Following Lipinski's Rule of Five, 1-({3-Chloro-6-nitro-1-benzothien-2-yl}carbonyl)-3-methylpiperidine has 0 hydrogen bond donor(s) and 4 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 1-({3-Chloro-6-nitro-1-benzothien-2-yl}carbonyl)-3-methylpiperidine?
The CAS number of 1-({3-Chloro-6-nitro-1-benzothien-2-yl}carbonyl)-3-methylpiperidine is 351981-95-8.
What is the molecular formula of 1-({3-Chloro-6-nitro-1-benzothien-2-yl}carbonyl)-3-methylpiperidine?
The molecular formula of 1-({3-Chloro-6-nitro-1-benzothien-2-yl}carbonyl)-3-methylpiperidine is C15H15ClN2O3S.
What is the molecular weight of 1-({3-Chloro-6-nitro-1-benzothien-2-yl}carbonyl)-3-methylpiperidine?
The molecular weight of 1-({3-Chloro-6-nitro-1-benzothien-2-yl}carbonyl)-3-methylpiperidine is 338.05 g/mol.
Where can I buy 1-({3-Chloro-6-nitro-1-benzothien-2-yl}carbonyl)-3-methylpiperidine?
You can request a quote for 1-({3-Chloro-6-nitro-1-benzothien-2-yl}carbonyl)-3-methylpiperidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-({3-Chloro-6-nitro-1-benzothien-2-yl}carbonyl)-3-methylpiperidine?
Yes, KEHONG BIO provides custom synthesis services for 1-({3-Chloro-6-nitro-1-benzothien-2-yl}carbonyl)-3-methylpiperidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.