![1-[(3-Chloro-6-nitro-1-benzothien-2-yl)carbonyl]piperazine structure](/static/products/4468/446830-65-5.webp)
1-[(3-Chloro-6-nitro-1-benzothien-2-yl)carbonyl]piperazine
TL;DR: 1-[(3-Chloro-6-nitro-1-benzothien-2-yl)carbonyl]piperazine (CAS 446830-65-5) is a chemical compound with molecular formula C13H12ClN3O3S and molecular weight 325.03 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)-piperazin-1-ylmethanone
Also Known As: 1-[(3-chloro-6-nitro-1-benzothien-2-yl)carbonyl]piperazine, KSC-1-99c, sulfanilic acid phenethylamide, 1-[(3-Chloro-6-nitro-1-benzothien-2-yl)carbonyl]-piperazine, 6136AE
| Molecular Formula | C13H12ClN3O3S |
|---|---|
| Molecular Weight | 325.03 g/mol |
| LogP | 2.5083 |
| Topological Polar Surface Area | 75.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 325.02878 |
| Heavy Atoms | 21 |
| Complexity | 724.76495 |
Chemical Identifiers
| CAS Number | 446830-65-5 |
|---|---|
| SMILES | C1CN(CCN1)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]piperazine (CAS 446830-65-5), with molecular formula C13H12ClN3O3S and molecular weight 325.03 g/mol. IUPAC: (3-chloro-6-nitro-1-benzothiophen-2-yl)-piperazin-1-ylmethanone.
Chemical Property Profile of 1-[(3-Chloro-6-nitro-1-benzothien-2-yl)carbonyl]piperazine
Property Insights of 1-[(3-Chloro-6-nitro-1-benzothien-2-yl)carbonyl]piperazine
The XLogP value of 2.5083 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[(3-Chloro-6-nitro-1-benzothien-2-yl)carbonyl]piperazine. The TPSA of 75.48 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[(3-Chloro-6-nitro-1-benzothien-2-yl)carbonyl]piperazine. Following Lipinski's Rule of Five, 1-[(3-Chloro-6-nitro-1-benzothien-2-yl)carbonyl]piperazine has 1 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 1-[(3-Chloro-6-nitro-1-benzothien-2-yl)carbonyl]piperazine?
The CAS number of 1-[(3-Chloro-6-nitro-1-benzothien-2-yl)carbonyl]piperazine is 446830-65-5.
What is the molecular formula of 1-[(3-Chloro-6-nitro-1-benzothien-2-yl)carbonyl]piperazine?
The molecular formula of 1-[(3-Chloro-6-nitro-1-benzothien-2-yl)carbonyl]piperazine is C13H12ClN3O3S.
What is the molecular weight of 1-[(3-Chloro-6-nitro-1-benzothien-2-yl)carbonyl]piperazine?
The molecular weight of 1-[(3-Chloro-6-nitro-1-benzothien-2-yl)carbonyl]piperazine is 325.03 g/mol.
Where can I buy 1-[(3-Chloro-6-nitro-1-benzothien-2-yl)carbonyl]piperazine?
You can request a quote for 1-[(3-Chloro-6-nitro-1-benzothien-2-yl)carbonyl]piperazine 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]piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-[(3-Chloro-6-nitro-1-benzothien-2-yl)carbonyl]piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.