Pyrrolidine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-, hydrochloride
TL;DR: Pyrrolidine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-, hydrochloride (CAS 36717-59-6) is a chemical compound with molecular formula C18H19Cl2NS and molecular weight 351.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)pyrrolidine;hydrochloride
Also Known As: KST-1B3636, 8-Chloro-10-pyrrolidino-10,11-dihydrodibenzo(b,f)thiepin hydrochloride, 1-(8-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)pyrrolidine hydrochloride, Pyrrolidine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-, hydrochloride, 1-(8-chloro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)pyrrolidine hydrochloride(1:1)
| Molecular Formula | C18H19Cl2NS |
|---|---|
| Molecular Weight | 351.06 g/mol |
| LogP | 5.606 |
| Topological Polar Surface Area | 28.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 351.06152 |
| Heavy Atoms | 22 |
| Complexity | 357.0 |
Chemical Identifiers
| CAS Number | 36717-59-6 |
|---|---|
| SMILES | C1CCN(C1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)Cl.Cl |
| InChIKey | CCSQMXNWJYQVQU-UHFFFAOYSA-N |
Product Overview
Pyrrolidine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-, hydrochloride (CAS 36717-59-6), with molecular formula C18H19Cl2NS and molecular weight 351.06 g/mol. IUPAC: 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)pyrrolidine;hydrochloride.
Chemical Property Profile of Pyrrolidine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-, hydrochloride
Property Insights of Pyrrolidine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-, hydrochloride
The XLogP value of 5.606 indicates that Pyrrolidine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.5 Ų, Pyrrolidine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrrolidine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-, hydrochloride has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pyrrolidine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-, hydrochloride?
The CAS number of Pyrrolidine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-, hydrochloride is 36717-59-6.
What is the molecular formula of Pyrrolidine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-, hydrochloride?
The molecular formula of Pyrrolidine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-, hydrochloride is C18H19Cl2NS.
What is the molecular weight of Pyrrolidine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-, hydrochloride?
The molecular weight of Pyrrolidine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-, hydrochloride is 351.06 g/mol.
Where can I buy Pyrrolidine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-, hydrochloride?
You can request a quote for Pyrrolidine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrrolidine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Pyrrolidine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.