RefChem:309586
TL;DR: RefChem:309586 (CAS 30301-36-1) is a chemical compound with molecular formula C22H29ClN2 and molecular weight 356.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(2-pyrrolidin-1-ylethyl)-5,7,12,13-tetrahydrobenzo[d][2]benzazonine;hydrochloride
Also Known As: 6H-Dibenz(c,g)azonine, 5,7,12,13-tetrahydro-6-(2-pyrrolidinoethyl)-, hydrochloride, 6-(2-Pyrrolidinoethyl)-5,7,12,13-tetrahydro-6H-dibenz(c,g)azonine hydrochloride, 6-(2-pyrrolidin-1-ylethyl)-5,7,12,13-tetrahydrobenzo[d][2]benzazonine hydrochloride, 5H-Dibenz[c,g]azonine, 6,7,12,13-tetrahydro-6-[2-(1-pyrrolidinyl)ethyl]-, monohydrochloride, 6-[2-(Pyrrolidin-1-yl)ethyl]-6,7,12,13-tetrahydro-5H-dibenzo[c,g]azonine--hydrogen chloride (1/1)
| Molecular Formula | C22H29ClN2 |
|---|---|
| Molecular Weight | 356.20 g/mol |
| LogP | 4.305 |
| Topological Polar Surface Area | 6.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 356.20193 |
| Heavy Atoms | 25 |
| Complexity | 350.0 |
Chemical Identifiers
| CAS Number | 30301-36-1 |
|---|---|
| SMILES | C1CCN(C1)CCN2CC3=CC=CC=C3CCC4=CC=CC=C4C2.Cl |
| InChIKey | GWJQGECZSFPWOU-UHFFFAOYSA-N |
Product Overview
RefChem:309586 (CAS 30301-36-1), with molecular formula C22H29ClN2 and molecular weight 356.20 g/mol. IUPAC: 6-(2-pyrrolidin-1-ylethyl)-5,7,12,13-tetrahydrobenzo[d][2]benzazonine;hydrochloride.
Chemical Property Profile of RefChem:309586
Property Insights of RefChem:309586
The XLogP value of 4.305 indicates that RefChem:309586 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 6.5 Ų, RefChem:309586 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:309586 has 1 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:309586?
The CAS number of RefChem:309586 is 30301-36-1.
What is the molecular formula of RefChem:309586?
The molecular formula of RefChem:309586 is C22H29ClN2.
What is the molecular weight of RefChem:309586?
The molecular weight of RefChem:309586 is 356.20 g/mol.
Where can I buy RefChem:309586?
You can request a quote for RefChem:309586 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:309586?
Yes, KEHONG BIO provides custom synthesis services for RefChem:309586 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.