1,2,3,4,4a,5,6,7-Octahydro-2,2,4a,7,7-pentamethyl-1,8-naphthyridine
TL;DR: 1,2,3,4,4a,5,6,7-Octahydro-2,2,4a,7,7-pentamethyl-1,8-naphthyridine (CAS 69340-58-5) is a chemical compound with molecular formula C13H24N2 and molecular weight 208.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,4a,7,7-pentamethyl-3,4,5,6-tetrahydro-1H-1,8-naphthyridine
Also Known As: PMDBD, 5-Bromosalicylamide, EINECS 273-970-8, 1,2,3,4,4a,5,6,7-Octahydro-2,2,4a,7,7-pentamethyl-1,8-naphthyridine, 3,3,6,9,9-Pentamethyl-2,10-diazabicyclo[4.4.0]dec-1-ene
| Molecular Formula | C13H24N2 |
|---|---|
| Molecular Weight | 208.19 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 24.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 208.19395 |
| Heavy Atoms | 15 |
| Complexity | 302.0 |
Chemical Identifiers
| CAS Number | 69340-58-5 |
|---|---|
| SMILES | CC1(CCC2(CCC(N=C2N1)(C)C)C)C |
| InChIKey | OEOPGVPCZRQSMQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2,3,4,4a,5,6,7-Octahydro-2,2,4a,7,7-pentamethyl-1,8-naphthyridine (CAS 69340-58-5), with molecular formula C13H24N2 and molecular weight 208.19 g/mol. IUPAC: 2,2,4a,7,7-pentamethyl-3,4,5,6-tetrahydro-1H-1,8-naphthyridine.
Chemical Property Profile of 1,2,3,4,4a,5,6,7-Octahydro-2,2,4a,7,7-pentamethyl-1,8-naphthyridine
Property Insights of 1,2,3,4,4a,5,6,7-Octahydro-2,2,4a,7,7-pentamethyl-1,8-naphthyridine
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,3,4,4a,5,6,7-Octahydro-2,2,4a,7,7-pentamethyl-1,8-naphthyridine. With a topological polar surface area (TPSA) of 24.4 Ų, 1,2,3,4,4a,5,6,7-Octahydro-2,2,4a,7,7-pentamethyl-1,8-naphthyridine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,3,4,4a,5,6,7-Octahydro-2,2,4a,7,7-pentamethyl-1,8-naphthyridine 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 1,2,3,4,4a,5,6,7-Octahydro-2,2,4a,7,7-pentamethyl-1,8-naphthyridine?
The CAS number of 1,2,3,4,4a,5,6,7-Octahydro-2,2,4a,7,7-pentamethyl-1,8-naphthyridine is 69340-58-5.
What is the molecular formula of 1,2,3,4,4a,5,6,7-Octahydro-2,2,4a,7,7-pentamethyl-1,8-naphthyridine?
The molecular formula of 1,2,3,4,4a,5,6,7-Octahydro-2,2,4a,7,7-pentamethyl-1,8-naphthyridine is C13H24N2.
What is the molecular weight of 1,2,3,4,4a,5,6,7-Octahydro-2,2,4a,7,7-pentamethyl-1,8-naphthyridine?
The molecular weight of 1,2,3,4,4a,5,6,7-Octahydro-2,2,4a,7,7-pentamethyl-1,8-naphthyridine is 208.19 g/mol.
Where can I buy 1,2,3,4,4a,5,6,7-Octahydro-2,2,4a,7,7-pentamethyl-1,8-naphthyridine?
You can request a quote for 1,2,3,4,4a,5,6,7-Octahydro-2,2,4a,7,7-pentamethyl-1,8-naphthyridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3,4,4a,5,6,7-Octahydro-2,2,4a,7,7-pentamethyl-1,8-naphthyridine?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3,4,4a,5,6,7-Octahydro-2,2,4a,7,7-pentamethyl-1,8-naphthyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.