RefChem:385372
TL;DR: RefChem:385372 (CAS 29465-20-1) is a chemical compound with molecular formula C16H20ClF3N2OS and molecular weight 380.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-dimethyl-2-[7-(trifluoromethylsulfanyl)-3,4-dihydro-1H-pyrano[4,3-b]indol-5-yl]ethanamine;hydrochloride
Also Known As: Thiopyrano(4,3-b)indole, 1,3,4,5-tetrahydro-5-(2-(dimethylamino)ethyl)-7(or 9)-(trifluoromethyl)-, monohydrochloride, N,N-dimethyl-2-[7-(trifluoromethylsulfanyl)-3,4-dihydro-1H-pyrano[4,3-b]indol-5-yl]ethanamine hydrochloride, N,N-Dimethyl-2-{7-[(trifluoromethyl)sulfanyl]-3,4-dihydropyrano[4,3-b]indol-5(1H)-yl}ethan-1-amine--hydrogen chloride (1/1), RefChem:385372
| Molecular Formula | C16H20ClF3N2OS |
|---|---|
| Molecular Weight | 380.09 g/mol |
| LogP | 4.3093 |
| Topological Polar Surface Area | 42.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 380.0937 |
| Heavy Atoms | 24 |
| Complexity | 407.0 |
Chemical Identifiers
| CAS Number | 29465-20-1 |
|---|---|
| SMILES | CN(C)CCN1C2=C(COCC2)C3=C1C=C(C=C3)SC(F)(F)F.Cl |
| InChIKey | KCJVZUNUYGULNN-UHFFFAOYSA-N |
Product Overview
RefChem:385372 (CAS 29465-20-1), with molecular formula C16H20ClF3N2OS and molecular weight 380.09 g/mol. IUPAC: N,N-dimethyl-2-[7-(trifluoromethylsulfanyl)-3,4-dihydro-1H-pyrano[4,3-b]indol-5-yl]ethanamine;hydrochloride.
Chemical Property Profile of RefChem:385372
Property Insights of RefChem:385372
The XLogP value of 4.3093 indicates that RefChem:385372 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.7 Ų, RefChem:385372 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:385372 has 1 hydrogen bond donor(s) and 6 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:385372?
The CAS number of RefChem:385372 is 29465-20-1.
What is the molecular formula of RefChem:385372?
The molecular formula of RefChem:385372 is C16H20ClF3N2OS.
What is the molecular weight of RefChem:385372?
The molecular weight of RefChem:385372 is 380.09 g/mol.
Where can I buy RefChem:385372?
You can request a quote for RefChem:385372 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:385372?
Yes, KEHONG BIO provides custom synthesis services for RefChem:385372 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.