RefChem:221168
TL;DR: RefChem:221168 (CAS 5871-31-8) is a chemical compound with molecular formula C23H31Cl2N3OS and molecular weight 467.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[3-(4-methylpiperazin-1-yl)propyl]-2-phenyl-2,3-dihydro-1,5-benzothiazepin-4-one;dihydrochloride
Also Known As: SQ 10,777, 1,5-Benzothiazepin-4(5H)-one, 2,3-dihydro-5-(3-(4-methyl-1-piperazinyl)propyl)-2-phenyl-, dihydrochloride, 2,4'-Dichloro-4-trifluoromethyl-3'-carbomethoxydiphenyl ether, 5-[3-(4-methylpiperazin-1-yl)propyl]-2-phenyl-2,3-dihydro-1,5-benzothiazepin-4(5h)-one dihydrochloride, methyl 2-chloro-5-[2-chloro-4-(trifluoromethyl)phenoxy]benzoate
| Molecular Formula | C23H31Cl2N3OS |
|---|---|
| Molecular Weight | 467.16 g/mol |
| LogP | 4.74 |
| Topological Polar Surface Area | 52.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 467.1565 |
| Heavy Atoms | 30 |
| Complexity | 502.0 |
Chemical Identifiers
| CAS Number | 5871-31-8 |
|---|---|
| SMILES | CN1CCN(CC1)CCCN2C(=O)CC(SC3=CC=CC=C32)C4=CC=CC=C4.Cl.Cl |
| InChIKey | KJAGKAQGAAORTA-UHFFFAOYSA-N |
Product Overview
RefChem:221168 (CAS 5871-31-8), with molecular formula C23H31Cl2N3OS and molecular weight 467.16 g/mol. IUPAC: 5-[3-(4-methylpiperazin-1-yl)propyl]-2-phenyl-2,3-dihydro-1,5-benzothiazepin-4-one;dihydrochloride.
Chemical Property Profile of RefChem:221168
Property Insights of RefChem:221168
The XLogP value of 4.74 indicates that RefChem:221168 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.1 Ų, RefChem:221168 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:221168 has 2 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 RefChem:221168?
The CAS number of RefChem:221168 is 5871-31-8.
What is the molecular formula of RefChem:221168?
The molecular formula of RefChem:221168 is C23H31Cl2N3OS.
What is the molecular weight of RefChem:221168?
The molecular weight of RefChem:221168 is 467.16 g/mol.
Where can I buy RefChem:221168?
You can request a quote for RefChem:221168 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:221168?
Yes, KEHONG BIO provides custom synthesis services for RefChem:221168 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.