![3,6-dichloro-N-(3-chloro-4-(4-isobutyrylpiperazin-1-yl)phenyl)benzo[b]thiophene-2-carboxamide structure](/static/products/847/847182-53-0.png)
3,6-dichloro-N-(3-chloro-4-(4-isobutyrylpiperazin-1-yl)phenyl)benzo[b]thiophene-2-carboxamide
TL;DR: 3,6-dichloro-N-(3-chloro-4-(4-isobutyrylpiperazin-1-yl)phenyl)benzo[b]thiophene-2-carboxamide (CAS 847182-53-0) is a chemical compound with molecular formula C23H22Cl3N3O2S and molecular weight 509.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,6-dichloro-N-[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-1-benzothiophene-2-carboxamide
Also Known As: 3,6-dichloro-N-(3-chloro-4-(4-isobutyrylpiperazin-1-yl)phenyl)benzo[b]thiophene-2-carboxamide, 3,6-dichloro-N-[3-chloro-4-(4-isobutyrylpiperazin-1-yl)phenyl]-1-benzothiophene-2-carboxamide, 3,6-dichloro-N-[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-1-benzothiophene-2-carboxamide, 3,6-dichloro-N-{3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl}-1-benzothiophene-2-carboxamide
| Molecular Formula | C23H22Cl3N3O2S |
|---|---|
| Molecular Weight | 509.05 g/mol |
| LogP | 6.4184 |
| Topological Polar Surface Area | 52.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 509.04984 |
| Heavy Atoms | 32 |
| Complexity | 1186.6885 |
Chemical Identifiers
| CAS Number | 847182-53-0 |
|---|---|
| SMILES | CC(C)C(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=C(C4=C(S3)C=C(C=C4)Cl)Cl)Cl |
Product Overview
3,6-dichloro-N-(3-chloro-4-(4-isobutyrylpiperazin-1-yl)phenyl)benzo[b]thiophene-2-carboxamide (CAS 847182-53-0), with molecular formula C23H22Cl3N3O2S and molecular weight 509.05 g/mol. IUPAC: 3,6-dichloro-N-[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-1-benzothiophene-2-carboxamide.
Chemical Property Profile of 3,6-dichloro-N-(3-chloro-4-(4-isobutyrylpiperazin-1-yl)phenyl)benzo[b]thiophene-2-carboxamide
Property Insights of 3,6-dichloro-N-(3-chloro-4-(4-isobutyrylpiperazin-1-yl)phenyl)benzo[b]thiophene-2-carboxamide
The XLogP value of 6.4184 indicates that 3,6-dichloro-N-(3-chloro-4-(4-isobutyrylpiperazin-1-yl)phenyl)benzo[b]thiophene-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.65 Ų, 3,6-dichloro-N-(3-chloro-4-(4-isobutyrylpiperazin-1-yl)phenyl)benzo[b]thiophene-2-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,6-dichloro-N-(3-chloro-4-(4-isobutyrylpiperazin-1-yl)phenyl)benzo[b]thiophene-2-carboxamide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,6-dichloro-N-(3-chloro-4-(4-isobutyrylpiperazin-1-yl)phenyl)benzo[b]thiophene-2-carboxamide?
The CAS number of 3,6-dichloro-N-(3-chloro-4-(4-isobutyrylpiperazin-1-yl)phenyl)benzo[b]thiophene-2-carboxamide is 847182-53-0.
What is the molecular formula of 3,6-dichloro-N-(3-chloro-4-(4-isobutyrylpiperazin-1-yl)phenyl)benzo[b]thiophene-2-carboxamide?
The molecular formula of 3,6-dichloro-N-(3-chloro-4-(4-isobutyrylpiperazin-1-yl)phenyl)benzo[b]thiophene-2-carboxamide is C23H22Cl3N3O2S.
What is the molecular weight of 3,6-dichloro-N-(3-chloro-4-(4-isobutyrylpiperazin-1-yl)phenyl)benzo[b]thiophene-2-carboxamide?
The molecular weight of 3,6-dichloro-N-(3-chloro-4-(4-isobutyrylpiperazin-1-yl)phenyl)benzo[b]thiophene-2-carboxamide is 509.05 g/mol.
Where can I buy 3,6-dichloro-N-(3-chloro-4-(4-isobutyrylpiperazin-1-yl)phenyl)benzo[b]thiophene-2-carboxamide?
You can request a quote for 3,6-dichloro-N-(3-chloro-4-(4-isobutyrylpiperazin-1-yl)phenyl)benzo[b]thiophene-2-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,6-dichloro-N-(3-chloro-4-(4-isobutyrylpiperazin-1-yl)phenyl)benzo[b]thiophene-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 3,6-dichloro-N-(3-chloro-4-(4-isobutyrylpiperazin-1-yl)phenyl)benzo[b]thiophene-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.