RefChem:337006
TL;DR: RefChem:337006 (CAS 848-77-1) is a chemical compound with molecular formula C19H23ClFNS and molecular weight 351.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-fluoro-6,11-dihydrobenzo[c][1]benzothiepin-11-yl)propyl-dimethylazanium chloride
Also Known As: Dibenz(b,e)thiepin, 6,11-dihydro-11-(3-(dimethylamino)propyl)-2-fluoro-, hydrochloride, 6,11-Dihydro-11-(3-(dimethylamino)-1-propyl)-2-fluorodibenz(b,e)thiepin hydrochloride, 3-(2-fluoro-6,11-dihydrobenzo[c][1]benzothiepin-11-yl)propyl-dimethylazanium chloride, Dibenzo[b,e]thiepin-11-propanamine, 2-fluoro-6,11-dihydro-N,N-dimethyl-, hydrochloride, RefChem:337006
| Molecular Formula | C19H23ClFNS |
|---|---|
| Molecular Weight | 351.12 g/mol |
| LogP | 0.49 |
| Topological Polar Surface Area | 29.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 351.12238 |
| Heavy Atoms | 23 |
| Complexity | 348.0 |
Chemical Identifiers
| CAS Number | 848-77-1 |
|---|---|
| SMILES | C[NH+](C)CCCC1C2=CC=CC=C2CSC3=C1C=C(C=C3)F.[Cl-] |
| InChIKey | NUZHVTZQUNKCSZ-UHFFFAOYSA-N |
Product Overview
RefChem:337006 (CAS 848-77-1), with molecular formula C19H23ClFNS and molecular weight 351.12 g/mol. IUPAC: 3-(2-fluoro-6,11-dihydrobenzo[c][1]benzothiepin-11-yl)propyl-dimethylazanium chloride.
Chemical Property Profile of RefChem:337006
Property Insights of RefChem:337006
The XLogP value of 0.49 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:337006. With a topological polar surface area (TPSA) of 29.7 Ų, RefChem:337006 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:337006 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:337006?
The CAS number of RefChem:337006 is 848-77-1.
What is the molecular formula of RefChem:337006?
The molecular formula of RefChem:337006 is C19H23ClFNS.
What is the molecular weight of RefChem:337006?
The molecular weight of RefChem:337006 is 351.12 g/mol.
Where can I buy RefChem:337006?
You can request a quote for RefChem:337006 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:337006?
Yes, KEHONG BIO provides custom synthesis services for RefChem:337006 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.