RefChem:385374
TL;DR: RefChem:385374 (CAS 29465-17-6) is a chemical compound with molecular formula C17H22ClF3N2OS and molecular weight 394.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-dimethyl-3-[7-(trifluoromethylsulfanyl)-3,4-dihydro-1H-pyrano[4,3-b]indol-5-yl]propan-1-amine;hydrochloride
Also Known As: Thiopyrano(4,3-b)indole, 1,3,4,5-tetrahydro-5-(3-(dimethylamino)propyl)-7(or 9)-(trifluoromethyl)-, monohydrochloride, N,N-dimethyl-3-[7-(trifluoromethylsulfanyl)-3,4-dihydro-1H-pyrano[4,3-b]indol-5-yl]propan-1-amine hydrochloride, N,N-Dimethyl-3-{7-[(trifluoromethyl)sulfanyl]-3,4-dihydropyrano[4,3-b]indol-5(1H)-yl}propan-1-amine--hydrogen chloride (1/1), RefChem:385374
| Molecular Formula | C17H22ClF3N2OS |
|---|---|
| Molecular Weight | 394.11 g/mol |
| LogP | 4.6994 |
| Topological Polar Surface Area | 42.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 394.10934 |
| Heavy Atoms | 25 |
| Complexity | 421.0 |
Chemical Identifiers
| CAS Number | 29465-17-6 |
|---|---|
| SMILES | CN(C)CCCN1C2=C(COCC2)C3=C1C=C(C=C3)SC(F)(F)F.Cl |
| InChIKey | CMUALNNWTORJQQ-UHFFFAOYSA-N |
Product Overview
RefChem:385374 (CAS 29465-17-6), with molecular formula C17H22ClF3N2OS and molecular weight 394.11 g/mol. IUPAC: N,N-dimethyl-3-[7-(trifluoromethylsulfanyl)-3,4-dihydro-1H-pyrano[4,3-b]indol-5-yl]propan-1-amine;hydrochloride.
Chemical Property Profile of RefChem:385374
Property Insights of RefChem:385374
The XLogP value of 4.6994 indicates that RefChem:385374 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:385374 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:385374 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:385374?
The CAS number of RefChem:385374 is 29465-17-6.
What is the molecular formula of RefChem:385374?
The molecular formula of RefChem:385374 is C17H22ClF3N2OS.
What is the molecular weight of RefChem:385374?
The molecular weight of RefChem:385374 is 394.11 g/mol.
Where can I buy RefChem:385374?
You can request a quote for RefChem:385374 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:385374?
Yes, KEHONG BIO provides custom synthesis services for RefChem:385374 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.