Dibenzo(b,f)thiepin, 10,11-dihydro-8-chloro-(R)-10-((S)-3'-methylethylaminopyrrolidino)-
TL;DR: Dibenzo(b,f)thiepin, 10,11-dihydro-8-chloro-(R)-10-((S)-3'-methylethylaminopyrrolidino)- (CAS 57602-86-5) is a chemical compound with molecular formula C21H25ClN2S and molecular weight 372.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R)-1-[(5S)-3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]-N-ethyl-N-methylpyrrolidin-3-amine
Also Known As: Dibenzo(b,f)thiepin, 10,11-dihydro-8-chloro-(R)-10-((S)-3'-methylethylaminopyrrolidino)-, 8-Chloro-(R)-10-((S)-3'-methylethylaminopyrrolidino)-10,11-dihydrodibenzo(b,f)thiepin, Dibenzo(b,f)thiepin, 8-chloro-(R)-10-((S)-3'-methylethylaminopyrrolidino)-10,11-dihydro-, DIBENZO(b,f)THIEPIN, 10,11-DIHYDRO-8-CHLORO-(S)-10-((R)-3'-METHYLETHYLAMINOPYRRO, (3R)-1-[(10S)-8-Chloro-10,11-dihydrodibenzo[b,f]thiepin-10-yl]-N-ethyl-N-methylpyrrolidin-3-amine
| Molecular Formula | C21H25ClN2S |
|---|---|
| Molecular Weight | 372.14 g/mol |
| LogP | 5.1144 |
| Topological Polar Surface Area | 6.48 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 372.1427 |
| Heavy Atoms | 25 |
| Complexity | 763.31134 |
Chemical Identifiers
| CAS Number | 57602-86-5 |
|---|---|
| SMILES | CCN(C)[C@@H]1CCN(C1)[C@H]2CC3=CC=CC=C3SC4=C2C=C(C=C4)Cl |
Product Overview
Dibenzo(b,f)thiepin, 10,11-dihydro-8-chloro-(R)-10-((S)-3'-methylethylaminopyrrolidino)- (CAS 57602-86-5), with molecular formula C21H25ClN2S and molecular weight 372.14 g/mol. IUPAC: (3R)-1-[(5S)-3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]-N-ethyl-N-methylpyrrolidin-3-amine.
Chemical Property Profile of Dibenzo(b,f)thiepin, 10,11-dihydro-8-chloro-(R)-10-((S)-3'-methylethylaminopyrrolidino)-
Property Insights of Dibenzo(b,f)thiepin, 10,11-dihydro-8-chloro-(R)-10-((S)-3'-methylethylaminopyrrolidino)-
The XLogP value of 5.1144 indicates that Dibenzo(b,f)thiepin, 10,11-dihydro-8-chloro-(R)-10-((S)-3'-methylethylaminopyrrolidino)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 6.48 Ų, Dibenzo(b,f)thiepin, 10,11-dihydro-8-chloro-(R)-10-((S)-3'-methylethylaminopyrrolidino)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dibenzo(b,f)thiepin, 10,11-dihydro-8-chloro-(R)-10-((S)-3'-methylethylaminopyrrolidino)- has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Dibenzo(b,f)thiepin, 10,11-dihydro-8-chloro-(R)-10-((S)-3'-methylethylaminopyrrolidino)-?
The CAS number of Dibenzo(b,f)thiepin, 10,11-dihydro-8-chloro-(R)-10-((S)-3'-methylethylaminopyrrolidino)- is 57602-86-5.
What is the molecular formula of Dibenzo(b,f)thiepin, 10,11-dihydro-8-chloro-(R)-10-((S)-3'-methylethylaminopyrrolidino)-?
The molecular formula of Dibenzo(b,f)thiepin, 10,11-dihydro-8-chloro-(R)-10-((S)-3'-methylethylaminopyrrolidino)- is C21H25ClN2S.
What is the molecular weight of Dibenzo(b,f)thiepin, 10,11-dihydro-8-chloro-(R)-10-((S)-3'-methylethylaminopyrrolidino)-?
The molecular weight of Dibenzo(b,f)thiepin, 10,11-dihydro-8-chloro-(R)-10-((S)-3'-methylethylaminopyrrolidino)- is 372.14 g/mol.
Where can I buy Dibenzo(b,f)thiepin, 10,11-dihydro-8-chloro-(R)-10-((S)-3'-methylethylaminopyrrolidino)-?
You can request a quote for Dibenzo(b,f)thiepin, 10,11-dihydro-8-chloro-(R)-10-((S)-3'-methylethylaminopyrrolidino)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dibenzo(b,f)thiepin, 10,11-dihydro-8-chloro-(R)-10-((S)-3'-methylethylaminopyrrolidino)-?
Yes, KEHONG BIO provides custom synthesis services for Dibenzo(b,f)thiepin, 10,11-dihydro-8-chloro-(R)-10-((S)-3'-methylethylaminopyrrolidino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.