RefChem:335029
TL;DR: RefChem:335029 (CAS 73806-31-2) is a chemical compound with molecular formula C18H26ClFN2 and molecular weight 324.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-fluoro-5,6,7,8,9,10-hexahydrocyclohepta[b]indol-10-yl)propyl-dimethylazanium chloride
Also Known As: Cyclohept(b)indole, 5,6,7,8,9,10-hexahydro-10-(3-(dimethylamino)propyl)-2-fluoro-, hydrochloride, 1-(gamma-Dimethylaminopropyl)-2,3-pentamethylene-5-fluoroindole, hydrochloride, 3-(2-fluoro-5,6,7,8,9,10-hexahydrocyclohepta[b]indol-10-yl)propyl-dimethylazanium chloride, Cyclohept[b]indole-10-propanamine, 2-fluoro-5,6,7,8,9,10-hexahydro-N,N-dimethyl-, hydrochloride, RefChem:335029
| Molecular Formula | C18H26ClFN2 |
|---|---|
| Molecular Weight | 324.18 g/mol |
| LogP | 0.05 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 324.17685 |
| Heavy Atoms | 22 |
| Complexity | 333.0 |
Chemical Identifiers
| CAS Number | 73806-31-2 |
|---|---|
| SMILES | C[NH+](C)CCCC1CCCCC2=C1C3=C(N2)C=CC(=C3)F.[Cl-] |
| InChIKey | ILZBNJZYNPSRHC-UHFFFAOYSA-N |
Product Overview
RefChem:335029 (CAS 73806-31-2), with molecular formula C18H26ClFN2 and molecular weight 324.18 g/mol. IUPAC: 3-(2-fluoro-5,6,7,8,9,10-hexahydrocyclohepta[b]indol-10-yl)propyl-dimethylazanium chloride.
Chemical Property Profile of RefChem:335029
Property Insights of RefChem:335029
The XLogP value of 0.05 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:335029. With a topological polar surface area (TPSA) of 20.2 Ų, RefChem:335029 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:335029 has 2 hydrogen bond donor(s) and 2 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:335029?
The CAS number of RefChem:335029 is 73806-31-2.
What is the molecular formula of RefChem:335029?
The molecular formula of RefChem:335029 is C18H26ClFN2.
What is the molecular weight of RefChem:335029?
The molecular weight of RefChem:335029 is 324.18 g/mol.
Where can I buy RefChem:335029?
You can request a quote for RefChem:335029 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:335029?
Yes, KEHONG BIO provides custom synthesis services for RefChem:335029 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.