4-(10,11-Dihydro-8-methoxydibenzo(b,f)thiepin-10-yl)-1-piperazinepropanol
TL;DR: 4-(10,11-Dihydro-8-methoxydibenzo(b,f)thiepin-10-yl)-1-piperazinepropanol (CAS 34770-77-9) is a chemical compound with molecular formula C22H28N2O2S and molecular weight 384.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(3-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propan-1-ol
Also Known As: 5-23-02-00467 (Beilstein Handbook Reference), 4-(10,11-Dihydro-8-methoxydibenzo(b,f)thiepin-10-yl)-1-piperazinepropanol, AE-641/00612054, AE-641/30101036, 1-Piperazinepropanol, 4-(10,11-dihydro-8-methoxydibenz0(b,f)thiepin-10-yl)-
| Molecular Formula | C22H28N2O2S |
|---|---|
| Molecular Weight | 384.19 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 61.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 384.18716 |
| Heavy Atoms | 27 |
| Complexity | 458.0 |
Chemical Identifiers
| CAS Number | 34770-77-9 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)SC3=CC=CC=C3CC2N4CCN(CC4)CCCO |
| InChIKey | QLLPMKXGTXHYPG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(10,11-Dihydro-8-methoxydibenzo(b,f)thiepin-10-yl)-1-piperazinepropanol (CAS 34770-77-9), with molecular formula C22H28N2O2S and molecular weight 384.19 g/mol. IUPAC: 3-[4-(3-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propan-1-ol.
Chemical Property Profile of 4-(10,11-Dihydro-8-methoxydibenzo(b,f)thiepin-10-yl)-1-piperazinepropanol
Property Insights of 4-(10,11-Dihydro-8-methoxydibenzo(b,f)thiepin-10-yl)-1-piperazinepropanol
The XLogP value of 3.4 indicates that 4-(10,11-Dihydro-8-methoxydibenzo(b,f)thiepin-10-yl)-1-piperazinepropanol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(10,11-Dihydro-8-methoxydibenzo(b,f)thiepin-10-yl)-1-piperazinepropanol. Following Lipinski's Rule of Five, 4-(10,11-Dihydro-8-methoxydibenzo(b,f)thiepin-10-yl)-1-piperazinepropanol 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 4-(10,11-Dihydro-8-methoxydibenzo(b,f)thiepin-10-yl)-1-piperazinepropanol?
The CAS number of 4-(10,11-Dihydro-8-methoxydibenzo(b,f)thiepin-10-yl)-1-piperazinepropanol is 34770-77-9.
What is the molecular formula of 4-(10,11-Dihydro-8-methoxydibenzo(b,f)thiepin-10-yl)-1-piperazinepropanol?
The molecular formula of 4-(10,11-Dihydro-8-methoxydibenzo(b,f)thiepin-10-yl)-1-piperazinepropanol is C22H28N2O2S.
What is the molecular weight of 4-(10,11-Dihydro-8-methoxydibenzo(b,f)thiepin-10-yl)-1-piperazinepropanol?
The molecular weight of 4-(10,11-Dihydro-8-methoxydibenzo(b,f)thiepin-10-yl)-1-piperazinepropanol is 384.19 g/mol.
Where can I buy 4-(10,11-Dihydro-8-methoxydibenzo(b,f)thiepin-10-yl)-1-piperazinepropanol?
You can request a quote for 4-(10,11-Dihydro-8-methoxydibenzo(b,f)thiepin-10-yl)-1-piperazinepropanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(10,11-Dihydro-8-methoxydibenzo(b,f)thiepin-10-yl)-1-piperazinepropanol?
Yes, KEHONG BIO provides custom synthesis services for 4-(10,11-Dihydro-8-methoxydibenzo(b,f)thiepin-10-yl)-1-piperazinepropanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.