1-Piperazinepropanol, 4-(8-chloro-10,11-dihydro-3-hydroxydibenzo(b,f)thiepin-10-yl)-, hydrochloride, hydrate (1:2:1)
TL;DR: 1-Piperazinepropanol, 4-(8-chloro-10,11-dihydro-3-hydroxydibenzo(b,f)thiepin-10-yl)-, hydrochloride, hydrate (1:2:1) (CAS 74277-35-3) is a chemical compound with molecular formula C21H27Cl3N2O2S and molecular weight 476.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-5-[4-(3-hydroxypropyl)piperazin-1-yl]-5,6-dihydrobenzo[b][1]benzothiepin-9-ol;dihydrochloride
Also Known As: 1-Piperazinepropanol, 4-(8-chloro-10,11-dihydro-3-hydroxydibenzo(b,f)thiepin-10-yl)-, hydrochloride, hydrate (1:2:1), 3-chloro-5-[4-(3-hydroxypropyl)piperazin-1-yl]-5,6-dihydrobenzo[b][1]benzothiepin-9-ol dihydrochloride, 8-Chloro-10-[4-(3-hydroxypropyl)piperazin-1-yl]-10,11-dihydrodibenzo[b,f]thiepin-3-ol--hydrogen chloride (1/2), RefChem:234068
| Molecular Formula | C21H27Cl3N2O2S |
|---|---|
| Molecular Weight | 476.09 g/mol |
| LogP | 4.6376 |
| Topological Polar Surface Area | 46.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 476.08588 |
| Heavy Atoms | 29 |
| Complexity | 816.50836 |
Chemical Identifiers
| CAS Number | 74277-35-3 |
|---|---|
| SMILES | C1CN(CCN1CCCO)C2CC3=C(C=C(C=C3)O)SC4=C2C=C(C=C4)Cl.Cl.Cl |
Product Overview
1-Piperazinepropanol, 4-(8-chloro-10,11-dihydro-3-hydroxydibenzo(b,f)thiepin-10-yl)-, hydrochloride, hydrate (1:2:1) (CAS 74277-35-3), with molecular formula C21H27Cl3N2O2S and molecular weight 476.09 g/mol. IUPAC: 3-chloro-5-[4-(3-hydroxypropyl)piperazin-1-yl]-5,6-dihydrobenzo[b][1]benzothiepin-9-ol;dihydrochloride.
Chemical Property Profile of 1-Piperazinepropanol, 4-(8-chloro-10,11-dihydro-3-hydroxydibenzo(b,f)thiepin-10-yl)-, hydrochloride, hydrate (1:2:1)
Property Insights of 1-Piperazinepropanol, 4-(8-chloro-10,11-dihydro-3-hydroxydibenzo(b,f)thiepin-10-yl)-, hydrochloride, hydrate (1:2:1)
The XLogP value of 4.6376 indicates that 1-Piperazinepropanol, 4-(8-chloro-10,11-dihydro-3-hydroxydibenzo(b,f)thiepin-10-yl)-, hydrochloride, hydrate (1:2:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.94 Ų, 1-Piperazinepropanol, 4-(8-chloro-10,11-dihydro-3-hydroxydibenzo(b,f)thiepin-10-yl)-, hydrochloride, hydrate (1:2:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Piperazinepropanol, 4-(8-chloro-10,11-dihydro-3-hydroxydibenzo(b,f)thiepin-10-yl)-, hydrochloride, hydrate (1:2:1) has 2 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 1-Piperazinepropanol, 4-(8-chloro-10,11-dihydro-3-hydroxydibenzo(b,f)thiepin-10-yl)-, hydrochloride, hydrate (1:2:1)?
The CAS number of 1-Piperazinepropanol, 4-(8-chloro-10,11-dihydro-3-hydroxydibenzo(b,f)thiepin-10-yl)-, hydrochloride, hydrate (1:2:1) is 74277-35-3.
What is the molecular formula of 1-Piperazinepropanol, 4-(8-chloro-10,11-dihydro-3-hydroxydibenzo(b,f)thiepin-10-yl)-, hydrochloride, hydrate (1:2:1)?
The molecular formula of 1-Piperazinepropanol, 4-(8-chloro-10,11-dihydro-3-hydroxydibenzo(b,f)thiepin-10-yl)-, hydrochloride, hydrate (1:2:1) is C21H27Cl3N2O2S.
What is the molecular weight of 1-Piperazinepropanol, 4-(8-chloro-10,11-dihydro-3-hydroxydibenzo(b,f)thiepin-10-yl)-, hydrochloride, hydrate (1:2:1)?
The molecular weight of 1-Piperazinepropanol, 4-(8-chloro-10,11-dihydro-3-hydroxydibenzo(b,f)thiepin-10-yl)-, hydrochloride, hydrate (1:2:1) is 476.09 g/mol.
Where can I buy 1-Piperazinepropanol, 4-(8-chloro-10,11-dihydro-3-hydroxydibenzo(b,f)thiepin-10-yl)-, hydrochloride, hydrate (1:2:1)?
You can request a quote for 1-Piperazinepropanol, 4-(8-chloro-10,11-dihydro-3-hydroxydibenzo(b,f)thiepin-10-yl)-, hydrochloride, hydrate (1:2:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Piperazinepropanol, 4-(8-chloro-10,11-dihydro-3-hydroxydibenzo(b,f)thiepin-10-yl)-, hydrochloride, hydrate (1:2:1)?
Yes, KEHONG BIO provides custom synthesis services for 1-Piperazinepropanol, 4-(8-chloro-10,11-dihydro-3-hydroxydibenzo(b,f)thiepin-10-yl)-, hydrochloride, hydrate (1:2:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.