RefChem:337151
TL;DR: RefChem:337151 (CAS 57602-85-4) 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.
(3S)-1-[(5S)-3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]-N-ethyl-N-methylpyrrolidin-3-amine
Also Known As: 8-Chloro-(S)-10-((S)-3'-methylethylaminopyrrolidino)-10,11-dihydrodibenzo(b,f)thiepin, Dibenzo(b,f)thiepin, 10,11-dihydro-8-chloro-(S)-10-((S)-3'-methylethylaminopyrrolidino)-, Dibenzo(b,f)thiepin, 8-chloro-(S)-10-((S)-3'-methylethylaminopyrrolidino)-10,11-dihydro-, -10,11-Dihydro-8-chloro-10-[ -3- pyrrolizino]dibenzo[b,f]thiepin, -10,11-dihydro-8-chloro-10-[-3- pyrrolizino]dibenzo[b,f]thiepin
| Molecular Formula | C21H25ClN2S |
|---|---|
| Molecular Weight | 372.14 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 31.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 372.1427 |
| Heavy Atoms | 25 |
| Complexity | 448.0 |
Chemical Identifiers
| CAS Number | 57602-85-4 |
|---|---|
| SMILES | CCN(C)[C@H]1CCN(C1)[C@H]2CC3=CC=CC=C3SC4=C2C=C(C=C4)Cl |
| InChIKey | HLPPSQPFFGNHHE-HKUYNNGSSA-N |
Product Overview
RefChem:337151 (CAS 57602-85-4), with molecular formula C21H25ClN2S and molecular weight 372.14 g/mol. IUPAC: (3S)-1-[(5S)-3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]-N-ethyl-N-methylpyrrolidin-3-amine.
Chemical Property Profile of RefChem:337151
Property Insights of RefChem:337151
The XLogP value of 5.1 indicates that RefChem:337151 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 31.8 Ų, RefChem:337151 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:337151 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 RefChem:337151?
The CAS number of RefChem:337151 is 57602-85-4.
What is the molecular formula of RefChem:337151?
The molecular formula of RefChem:337151 is C21H25ClN2S.
What is the molecular weight of RefChem:337151?
The molecular weight of RefChem:337151 is 372.14 g/mol.
Where can I buy RefChem:337151?
You can request a quote for RefChem:337151 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:337151?
Yes, KEHONG BIO provides custom synthesis services for RefChem:337151 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.