RefChem:349399
TL;DR: RefChem:349399 (CAS 57529-84-7) is a chemical compound with molecular formula C32H31ClN2 and molecular weight 478.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10,12,14(17),15-heptaen-16-yl)ethyl-dibenzylazanium chloride
Also Known As: 6,7-Dihydro-N,N-dibenzyl-indolo(1,7-ab)(1)benzazepine-1-ethanamine hydrochloride, Indolo(1,7-ab)(1)benzazepine-1-ethanamine, 6,7-dihydro-N,N-dibenzyl-, monohydrochloride, INDOLO(1,7-ab)(1)BENZAZEPINE-1-ETHANAMINE, 6,7-DIHYDRO-N,N-DIBENZYL-, MONOHYDROC, RefChem:349399
| Molecular Formula | C32H31ClN2 |
|---|---|
| Molecular Weight | 478.22 g/mol |
| LogP | 2.56 |
| Topological Polar Surface Area | 9.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 7 |
| Exact Mass | 478.2176 |
| Heavy Atoms | 35 |
| Complexity | 601.0 |
Chemical Identifiers
| CAS Number | 57529-84-7 |
|---|---|
| SMILES | C1CC2=CC=CC3=C2N(C4=CC=CC=C41)C(=C3)CC[NH+](CC5=CC=CC=C5)CC6=CC=CC=C6.[Cl-] |
| InChIKey | IWBVOUPYRXFQPE-UHFFFAOYSA-N |
Product Overview
RefChem:349399 (CAS 57529-84-7), with molecular formula C32H31ClN2 and molecular weight 478.22 g/mol. IUPAC: 2-(1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10,12,14(17),15-heptaen-16-yl)ethyl-dibenzylazanium chloride.
Chemical Property Profile of RefChem:349399
Property Insights of RefChem:349399
The XLogP value of 2.56 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:349399. With a topological polar surface area (TPSA) of 9.4 Ų, RefChem:349399 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:349399 has 1 hydrogen bond donor(s) and 1 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:349399?
The CAS number of RefChem:349399 is 57529-84-7.
What is the molecular formula of RefChem:349399?
The molecular formula of RefChem:349399 is C32H31ClN2.
What is the molecular weight of RefChem:349399?
The molecular weight of RefChem:349399 is 478.22 g/mol.
Where can I buy RefChem:349399?
You can request a quote for RefChem:349399 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:349399?
Yes, KEHONG BIO provides custom synthesis services for RefChem:349399 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.