Isofloxythepin
TL;DR: Isofloxythepin (CAS 70931-18-9) is a chemical compound with molecular formula C23H29FN2OS and molecular weight 400.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(9-fluoro-3-propan-2-yl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]ethanol
Also Known As: Isofloxythepin, 7-Fluoro-11-(4-(2-hydroxyethyl)piperazino)-2-isopropyl-10,11-dihydrodibenzo(b,f)thiepin, BRD-A07704283-001-01-3, 1-Piperazineethanol, 4-(10,11-dihydro-3-fluoro-8-(1-methylethyl)dibenzo(b,f)thiepin-10-yl)-, 1-Piperazineethanol, 4-(3-fluoro-10,11-dihydro-8-(1-methylethyl)dibenzo(b,f)thiepin-10-yl)-
| Molecular Formula | C23H29FN2OS |
|---|---|
| Molecular Weight | 400.20 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 52.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 400.19846 |
| Heavy Atoms | 28 |
| Complexity | 499.0 |
Chemical Identifiers
| CAS Number | 70931-18-9 |
|---|---|
| SMILES | CC(C)C1=CC2=C(C=C1)SC3=C(CC2N4CCN(CC4)CCO)C=CC(=C3)F |
| InChIKey | XDBMBHVYXPBOPL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isofloxythepin (CAS 70931-18-9), with molecular formula C23H29FN2OS and molecular weight 400.20 g/mol. IUPAC: 2-[4-(9-fluoro-3-propan-2-yl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]ethanol.
Chemical Property Profile of Isofloxythepin
Property Insights of Isofloxythepin
The XLogP value of 4.2 indicates that Isofloxythepin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.0 Ų, Isofloxythepin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isofloxythepin 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 Isofloxythepin?
The CAS number of Isofloxythepin is 70931-18-9.
What is the molecular formula of Isofloxythepin?
The molecular formula of Isofloxythepin is C23H29FN2OS.
What is the molecular weight of Isofloxythepin?
The molecular weight of Isofloxythepin is 400.20 g/mol.
Where can I buy Isofloxythepin?
You can request a quote for Isofloxythepin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isofloxythepin?
Yes, KEHONG BIO provides custom synthesis services for Isofloxythepin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.