RefChem:1056836
TL;DR: RefChem:1056836 (CAS 57360-24-4) is a chemical compound with molecular formula C22H22ClNS and molecular weight 367.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3Z)-N,N-dimethyl-3-(2-thiatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3,5,7,10,12,14(18),15-octaen-9-ylidene)propan-1-amine;hydrochloride
Also Known As: 12-(3-Dimethylaminopropylidene)-12H-benzo(f)naphtho(1,8-bc)thiepin hydrochloride monohydrate, 1-Propanamine, 3-(12H-benzo(f)naphtho(1,8-bc)thiepin-12-ylidene)-N,N-dimethyl-, hydrochloride, hydrate (1:1:1), RefChem:1056836
| Molecular Formula | C22H22ClNS |
|---|---|
| Molecular Weight | 367.12 g/mol |
| LogP | 5.6428 |
| Topological Polar Surface Area | 3.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 367.11615 |
| Heavy Atoms | 25 |
| Complexity | 1090.0243 |
Chemical Identifiers
| CAS Number | 57360-24-4 |
|---|---|
| SMILES | CN(C)CC/C=C/1\C2=CC=CC=C2SC3=CC=CC4=C3C1=CC=C4.Cl |
Product Overview
RefChem:1056836 (CAS 57360-24-4), with molecular formula C22H22ClNS and molecular weight 367.12 g/mol. IUPAC: (3Z)-N,N-dimethyl-3-(2-thiatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3,5,7,10,12,14(18),15-octaen-9-ylidene)propan-1-amine;hydrochloride.
Chemical Property Profile of RefChem:1056836
Property Insights of RefChem:1056836
The XLogP value of 5.6428 indicates that RefChem:1056836 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.24 Ų, RefChem:1056836 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1056836 has 0 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 RefChem:1056836?
The CAS number of RefChem:1056836 is 57360-24-4.
What is the molecular formula of RefChem:1056836?
The molecular formula of RefChem:1056836 is C22H22ClNS.
What is the molecular weight of RefChem:1056836?
The molecular weight of RefChem:1056836 is 367.12 g/mol.
Where can I buy RefChem:1056836?
You can request a quote for RefChem:1056836 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1056836?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1056836 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.