4a,8a-(Methaniminomethano)naphthalene, 1,4,5,8-tetrahydro-, hydrochloride
TL;DR: 4a,8a-(Methaniminomethano)naphthalene, 1,4,5,8-tetrahydro-, hydrochloride (CAS 17730-83-5) is a chemical compound with molecular formula C12H18ClN and molecular weight 211.11 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]trideca-3,8-diene;hydrochloride
Also Known As: 4a,8a-(Methaniminomethano)naphthalene, 1,4,5,8-tetrahydro-, hydrochloride, 1,4,5,8-Tetrahydro-4a,8a-(methaniminomethano)naphthalene hydrochloride, 1,4,5,8-Tetrahydro-4a,8a-(methanoiminomethano)naphthalene--hydrogen chloride (1/1), RefChem:296700
| Molecular Formula | C12H18ClN |
|---|---|
| Molecular Weight | 211.11 g/mol |
| LogP | 2.6842 |
| Topological Polar Surface Area | 12.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 211.11278 |
| Heavy Atoms | 14 |
| Complexity | 231.0 |
Chemical Identifiers
| CAS Number | 17730-83-5 |
|---|---|
| SMILES | C1C=CCC23C1(CC=CC2)CNC3.Cl |
| InChIKey | QTEPBAJBSQWJJY-UHFFFAOYSA-N |
Product Overview
4a,8a-(Methaniminomethano)naphthalene, 1,4,5,8-tetrahydro-, hydrochloride (CAS 17730-83-5), with molecular formula C12H18ClN and molecular weight 211.11 g/mol. IUPAC: 12-azatricyclo[4.4.3.01,6]trideca-3,8-diene;hydrochloride.
Chemical Property Profile of 4a,8a-(Methaniminomethano)naphthalene, 1,4,5,8-tetrahydro-, hydrochloride
Property Insights of 4a,8a-(Methaniminomethano)naphthalene, 1,4,5,8-tetrahydro-, hydrochloride
The XLogP value of 2.6842 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4a,8a-(Methaniminomethano)naphthalene, 1,4,5,8-tetrahydro-, hydrochloride. With a topological polar surface area (TPSA) of 12.0 Ų, 4a,8a-(Methaniminomethano)naphthalene, 1,4,5,8-tetrahydro-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4a,8a-(Methaniminomethano)naphthalene, 1,4,5,8-tetrahydro-, hydrochloride 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 4a,8a-(Methaniminomethano)naphthalene, 1,4,5,8-tetrahydro-, hydrochloride?
The CAS number of 4a,8a-(Methaniminomethano)naphthalene, 1,4,5,8-tetrahydro-, hydrochloride is 17730-83-5.
What is the molecular formula of 4a,8a-(Methaniminomethano)naphthalene, 1,4,5,8-tetrahydro-, hydrochloride?
The molecular formula of 4a,8a-(Methaniminomethano)naphthalene, 1,4,5,8-tetrahydro-, hydrochloride is C12H18ClN.
What is the molecular weight of 4a,8a-(Methaniminomethano)naphthalene, 1,4,5,8-tetrahydro-, hydrochloride?
The molecular weight of 4a,8a-(Methaniminomethano)naphthalene, 1,4,5,8-tetrahydro-, hydrochloride is 211.11 g/mol.
Where can I buy 4a,8a-(Methaniminomethano)naphthalene, 1,4,5,8-tetrahydro-, hydrochloride?
You can request a quote for 4a,8a-(Methaniminomethano)naphthalene, 1,4,5,8-tetrahydro-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4a,8a-(Methaniminomethano)naphthalene, 1,4,5,8-tetrahydro-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 4a,8a-(Methaniminomethano)naphthalene, 1,4,5,8-tetrahydro-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.