奥克洛西平
TL;DR: 奥克洛西平 (CAS 13448-22-1) is a chemical compound with molecular formula C19H21ClN2S and molecular weight 344.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
奥克洛西平
1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine
Also Known As: Clorotepine, Octoclothepine, Octoclothepin, Clothepin, Clotepin
| Molecular Formula | C19H21ClN2S |
|---|---|
| Molecular Weight | 344.11 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 31.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 344.1114 |
| Heavy Atoms | 23 |
| Complexity | 399.0 |
Chemical Identifiers
| CAS Number | 13448-22-1 |
|---|---|
| SMILES | CN1CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)Cl |
| InChIKey | XRYLGRGAWQSVQW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
奥克洛西平 (CAS 13448-22-1), with molecular formula C19H21ClN2S and molecular weight 344.11 g/mol. IUPAC: 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine.
Chemical Property Profile of 奥克洛西平
Property Insights of 奥克洛西平
The XLogP value of 4.3 indicates that 奥克洛西平 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 31.8 Ų, 奥克洛西平 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 奥克洛西平 has 0 hydrogen bond donor(s) and 3 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 奥克洛西平?
The CAS number of 奥克洛西平 is 13448-22-1.
What is the molecular formula of 奥克洛西平?
The molecular formula of 奥克洛西平 is C19H21ClN2S.
What is the molecular weight of 奥克洛西平?
The molecular weight of 奥克洛西平 is 344.11 g/mol.
Where can I buy 奥克洛西平?
You can request a quote for 奥克洛西平 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 奥克洛西平?
Yes, KEHONG BIO provides custom synthesis services for 奥克洛西平 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.