RefChem:337007
TL;DR: RefChem:337007 (CAS 1162-97-6) is a chemical compound with molecular formula C19H22Cl3NS and molecular weight 401.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,9-dichloro-6,11-dihydrobenzo[c][1]benzothiepin-11-yl)-N,N-dimethylpropan-1-amine;hydrochloride
Also Known As: Dibenz(b,e)thiepin, 6,11-dihydro-2,9-dichloro-11-(3-(dimethylamino)-1-propyl)-, hydrochloride, 2,9-Dichloro-6,11-dihydro-11-(3-(dimethylamino)-1-propyl)dibenz(b,e)thiepin hydrochloride, Dibenzo[b,e]thiepin-11-propanamine, 2,9-dichloro-6,11-dihydro-N,N-dimethyl-, hydrochloride, 3-(2,9-dichloro-6,11-dihydrobenzo[c][1]benzothiepin-11-yl)-N,N-dimethylpropan-1-amine hydrochloride, 3-(2,9-Dichloro-6,11-dihydrodibenzo[b,e]thiepin-11-yl)-N,N-dimethylpropan-1-amine--hydrogen chloride (1/1)
| Molecular Formula | C19H22Cl3NS |
|---|---|
| Molecular Weight | 401.05 g/mol |
| LogP | 6.4946 |
| Topological Polar Surface Area | 3.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 401.05386 |
| Heavy Atoms | 24 |
| Complexity | 649.5064 |
Chemical Identifiers
| CAS Number | 1162-97-6 |
|---|---|
| SMILES | CN(C)CCCC1C2=C(CSC3=C1C=C(C=C3)Cl)C=CC(=C2)Cl.Cl |
Product Overview
RefChem:337007 (CAS 1162-97-6), with molecular formula C19H22Cl3NS and molecular weight 401.05 g/mol. IUPAC: 3-(2,9-dichloro-6,11-dihydrobenzo[c][1]benzothiepin-11-yl)-N,N-dimethylpropan-1-amine;hydrochloride.
Chemical Property Profile of RefChem:337007
Property Insights of RefChem:337007
The XLogP value of 6.4946 indicates that RefChem:337007 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:337007 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:337007 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:337007?
The CAS number of RefChem:337007 is 1162-97-6.
What is the molecular formula of RefChem:337007?
The molecular formula of RefChem:337007 is C19H22Cl3NS.
What is the molecular weight of RefChem:337007?
The molecular weight of RefChem:337007 is 401.05 g/mol.
Where can I buy RefChem:337007?
You can request a quote for RefChem:337007 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:337007?
Yes, KEHONG BIO provides custom synthesis services for RefChem:337007 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.