![4-(3-chloro-6H-benzo[b][4,1]benzoxathiepin-6-yl)-1-methylpiperidine structure](/static/products/961/96122-57-5.png)
4-(3-chloro-6H-benzo[b][4,1]benzoxathiepin-6-yl)-1-methylpiperidine
TL;DR: 4-(3-chloro-6H-benzo[b][4,1]benzoxathiepin-6-yl)-1-methylpiperidine (CAS 96122-57-5) is a chemical compound with molecular formula C19H20ClNOS and molecular weight 345.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-chloro-6H-benzo[b][4,1]benzoxathiepin-6-yl)-1-methylpiperidine
Also Known As: AE-641/30157033, 4-(3-chloro-6H-benzo[b][4,1]benzoxathiepin-6-yl)-1-methylpiperidine, 4-(8-chloro-11H-dibenzo[b,e][1,4]oxathiepin-11-yl)-1-methylpiperidine, 4-(3-chloro-6H-benzo[b][4,1]benzoxathiepin-6-yl)-1-methyl-piperidine;maleic acid, (Z)-2-butenedioic acid;4-(3-chloro-6H-benzo[b][4,1]benzoxathiepin-6-yl)-1-methylpiperidine
| Molecular Formula | C19H20ClNOS |
|---|---|
| Molecular Weight | 345.10 g/mol |
| LogP | 5.2665 |
| Topological Polar Surface Area | 12.47 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 345.0954 |
| Heavy Atoms | 23 |
| Complexity | 712.26587 |
Chemical Identifiers
| CAS Number | 96122-57-5 |
|---|---|
| SMILES | CN1CCC(CC1)C2C3=CC=CC=C3SC4=C(O2)C=C(C=C4)Cl |
Product Overview
4-(3-chloro-6H-benzo[b][4,1]benzoxathiepin-6-yl)-1-methylpiperidine (CAS 96122-57-5), with molecular formula C19H20ClNOS and molecular weight 345.10 g/mol. IUPAC: 4-(3-chloro-6H-benzo[b][4,1]benzoxathiepin-6-yl)-1-methylpiperidine.
Chemical Property Profile of 4-(3-chloro-6H-benzo[b][4,1]benzoxathiepin-6-yl)-1-methylpiperidine
Property Insights of 4-(3-chloro-6H-benzo[b][4,1]benzoxathiepin-6-yl)-1-methylpiperidine
The XLogP value of 5.2665 indicates that 4-(3-chloro-6H-benzo[b][4,1]benzoxathiepin-6-yl)-1-methylpiperidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.47 Ų, 4-(3-chloro-6H-benzo[b][4,1]benzoxathiepin-6-yl)-1-methylpiperidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(3-chloro-6H-benzo[b][4,1]benzoxathiepin-6-yl)-1-methylpiperidine has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(3-chloro-6H-benzo[b][4,1]benzoxathiepin-6-yl)-1-methylpiperidine?
The CAS number of 4-(3-chloro-6H-benzo[b][4,1]benzoxathiepin-6-yl)-1-methylpiperidine is 96122-57-5.
What is the molecular formula of 4-(3-chloro-6H-benzo[b][4,1]benzoxathiepin-6-yl)-1-methylpiperidine?
The molecular formula of 4-(3-chloro-6H-benzo[b][4,1]benzoxathiepin-6-yl)-1-methylpiperidine is C19H20ClNOS.
What is the molecular weight of 4-(3-chloro-6H-benzo[b][4,1]benzoxathiepin-6-yl)-1-methylpiperidine?
The molecular weight of 4-(3-chloro-6H-benzo[b][4,1]benzoxathiepin-6-yl)-1-methylpiperidine is 345.10 g/mol.
Where can I buy 4-(3-chloro-6H-benzo[b][4,1]benzoxathiepin-6-yl)-1-methylpiperidine?
You can request a quote for 4-(3-chloro-6H-benzo[b][4,1]benzoxathiepin-6-yl)-1-methylpiperidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3-chloro-6H-benzo[b][4,1]benzoxathiepin-6-yl)-1-methylpiperidine?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-chloro-6H-benzo[b][4,1]benzoxathiepin-6-yl)-1-methylpiperidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.