1,2,3,4,5,8-Hexahydro-10-methyl-4a,8a-(methaniminomethano)naphthalene hydrochloride
TL;DR: 1,2,3,4,5,8-Hexahydro-10-methyl-4a,8a-(methaniminomethano)naphthalene hydrochloride (CAS 17713-05-2) is a chemical compound with molecular formula C13H22ClN and molecular weight 227.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12-methyl-12-azatricyclo[4.4.3.01,6]tridec-3-ene;hydrochloride
Also Known As: 1,2,3,4,5,8-Hexahydro-10-methyl-4a,8a-(methaniminomethano)naphthalene hydrochloride, 4a,8a-(Methaniminomethano)naphthalene, 1,2,3,4,5,8-hexahydro-10-methyl-, hydrochloride, 10-Methyl-1,2,3,4,5,8-hexahydro-4a,8a-(methanoiminomethano)naphthalene--hydrogen chloride (1/1), RefChem:1071735
| Molecular Formula | C13H22ClN |
|---|---|
| Molecular Weight | 227.14 g/mol |
| LogP | 3.2504 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 227.14407 |
| Heavy Atoms | 15 |
| Complexity | 244.0 |
Chemical Identifiers
| CAS Number | 17713-05-2 |
|---|---|
| SMILES | CN1CC23CCCCC2(C1)CC=CC3.Cl |
| InChIKey | VCRDYTUFGSRHTP-UHFFFAOYSA-N |
Product Overview
1,2,3,4,5,8-Hexahydro-10-methyl-4a,8a-(methaniminomethano)naphthalene hydrochloride (CAS 17713-05-2), with molecular formula C13H22ClN and molecular weight 227.14 g/mol. IUPAC: 12-methyl-12-azatricyclo[4.4.3.01,6]tridec-3-ene;hydrochloride.
Chemical Property Profile of 1,2,3,4,5,8-Hexahydro-10-methyl-4a,8a-(methaniminomethano)naphthalene hydrochloride
Property Insights of 1,2,3,4,5,8-Hexahydro-10-methyl-4a,8a-(methaniminomethano)naphthalene hydrochloride
The XLogP value of 3.2504 indicates that 1,2,3,4,5,8-Hexahydro-10-methyl-4a,8a-(methaniminomethano)naphthalene hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.2 Ų, 1,2,3,4,5,8-Hexahydro-10-methyl-4a,8a-(methaniminomethano)naphthalene hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,3,4,5,8-Hexahydro-10-methyl-4a,8a-(methaniminomethano)naphthalene hydrochloride 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 1,2,3,4,5,8-Hexahydro-10-methyl-4a,8a-(methaniminomethano)naphthalene hydrochloride?
The CAS number of 1,2,3,4,5,8-Hexahydro-10-methyl-4a,8a-(methaniminomethano)naphthalene hydrochloride is 17713-05-2.
What is the molecular formula of 1,2,3,4,5,8-Hexahydro-10-methyl-4a,8a-(methaniminomethano)naphthalene hydrochloride?
The molecular formula of 1,2,3,4,5,8-Hexahydro-10-methyl-4a,8a-(methaniminomethano)naphthalene hydrochloride is C13H22ClN.
What is the molecular weight of 1,2,3,4,5,8-Hexahydro-10-methyl-4a,8a-(methaniminomethano)naphthalene hydrochloride?
The molecular weight of 1,2,3,4,5,8-Hexahydro-10-methyl-4a,8a-(methaniminomethano)naphthalene hydrochloride is 227.14 g/mol.
Where can I buy 1,2,3,4,5,8-Hexahydro-10-methyl-4a,8a-(methaniminomethano)naphthalene hydrochloride?
You can request a quote for 1,2,3,4,5,8-Hexahydro-10-methyl-4a,8a-(methaniminomethano)naphthalene hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3,4,5,8-Hexahydro-10-methyl-4a,8a-(methaniminomethano)naphthalene hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3,4,5,8-Hexahydro-10-methyl-4a,8a-(methaniminomethano)naphthalene hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.