RefChem:1051905
TL;DR: RefChem:1051905 (CAS 17730-84-6) is a chemical compound with molecular formula C12H20ClN and molecular weight 213.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12-azatricyclo[4.4.3.01,6]tridec-3-ene;hydrochloride
Also Known As: 1,2,3,4,5,8-Hexahydro-4a,8a-(methaniminomethano)naphthalene hydrochloride, 4a,8a-(Methaniminomethano)naphthalene, 1,2,3,4,5,8-hexahydro-, hydrochloride, 1,2,3,4,5,8-Hexahydro-4a,8a-(methanoiminomethano)naphthalene--hydrogen chloride (1/1), RefChem:1051905
| Molecular Formula | C12H20ClN |
|---|---|
| Molecular Weight | 213.13 g/mol |
| LogP | 2.9082 |
| Topological Polar Surface Area | 12.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 213.12843 |
| Heavy Atoms | 14 |
| Complexity | 222.0 |
Chemical Identifiers
| CAS Number | 17730-84-6 |
|---|---|
| SMILES | C1CCC23CC=CCC2(C1)CNC3.Cl |
| InChIKey | ZVHSQPQFJBOZFP-UHFFFAOYSA-N |
Product Overview
RefChem:1051905 (CAS 17730-84-6), with molecular formula C12H20ClN and molecular weight 213.13 g/mol. IUPAC: 12-azatricyclo[4.4.3.01,6]tridec-3-ene;hydrochloride.
Chemical Property Profile of RefChem:1051905
Property Insights of RefChem:1051905
The XLogP value of 2.9082 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1051905. With a topological polar surface area (TPSA) of 12.0 Ų, RefChem:1051905 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1051905 has 2 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:1051905?
The CAS number of RefChem:1051905 is 17730-84-6.
What is the molecular formula of RefChem:1051905?
The molecular formula of RefChem:1051905 is C12H20ClN.
What is the molecular weight of RefChem:1051905?
The molecular weight of RefChem:1051905 is 213.13 g/mol.
Where can I buy RefChem:1051905?
You can request a quote for RefChem:1051905 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1051905?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1051905 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.