![6a,8a-dimethyl-9-(6-methylheptan-2-yl)-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,11a,11b,12-octadecahydroindeno[5,4-f]pyrimido[1,2-a]quinoline structure](/static/products/3480/3480-59-9.webp)
6a,8a-dimethyl-9-(6-methylheptan-2-yl)-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,11a,11b,12-octadecahydroindeno[5,4-f]pyrimido[1,2-a]quinoline
TL;DR: 6a,8a-dimethyl-9-(6-methylheptan-2-yl)-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,11a,11b,12-octadecahydroindeno[5,4-f]pyrimido[1,2-a]quinoline (CAS 3480-59-9) is a chemical compound with molecular formula C29H50N2 and molecular weight 426.40 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,5-dimethyl-6-(6-methylheptan-2-yl)-14,18-diazapentacyclo[11.8.0.02,10.05,9.014,19]henicos-12-ene
Also Known As: 6a,8a-dimethyl-9-(6-methylheptan-2-yl)-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,11a,11b,12-octadecahydroindeno[5,4-f]pyrimido[1,2-a]quinoline, 6a,8a-dimethyl-9-(6-methylheptan-2-yl)-1,2,3,4,4a,5,6,6a,6b,
| Molecular Formula | C29H50N2 |
|---|---|
| Molecular Weight | 426.40 g/mol |
| LogP | 9.1 |
| Topological Polar Surface Area | 15.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 426.3974 |
| Heavy Atoms | 31 |
| Complexity | 682.0 |
Chemical Identifiers
| CAS Number | 3480-59-9 |
|---|---|
| SMILES | CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC5N4CCCN5)C)C |
| InChIKey | KPZIVSIWBABTID-UHFFFAOYSA-N |
Product Overview
6a,8a-dimethyl-9-(6-methylheptan-2-yl)-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,11a,11b,12-octadecahydroindeno[5,4-f]pyrimido[1,2-a]quinoline (CAS 3480-59-9), with molecular formula C29H50N2 and molecular weight 426.40 g/mol. IUPAC: 1,5-dimethyl-6-(6-methylheptan-2-yl)-14,18-diazapentacyclo[11.8.0.02,10.05,9.014,19]henicos-12-ene.
Chemical Property Profile of 6a,8a-dimethyl-9-(6-methylheptan-2-yl)-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,11a,11b,12-octadecahydroindeno[5,4-f]pyrimido[1,2-a]quinoline
Property Insights of 6a,8a-dimethyl-9-(6-methylheptan-2-yl)-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,11a,11b,12-octadecahydroindeno[5,4-f]pyrimido[1,2-a]quinoline
The XLogP value of 9.1 indicates that 6a,8a-dimethyl-9-(6-methylheptan-2-yl)-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,11a,11b,12-octadecahydroindeno[5,4-f]pyrimido[1,2-a]quinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 15.3 Ų, 6a,8a-dimethyl-9-(6-methylheptan-2-yl)-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,11a,11b,12-octadecahydroindeno[5,4-f]pyrimido[1,2-a]quinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6a,8a-dimethyl-9-(6-methylheptan-2-yl)-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,11a,11b,12-octadecahydroindeno[5,4-f]pyrimido[1,2-a]quinoline has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6a,8a-dimethyl-9-(6-methylheptan-2-yl)-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,11a,11b,12-octadecahydroindeno[5,4-f]pyrimido[1,2-a]quinoline?
The CAS number of 6a,8a-dimethyl-9-(6-methylheptan-2-yl)-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,11a,11b,12-octadecahydroindeno[5,4-f]pyrimido[1,2-a]quinoline is 3480-59-9.
What is the molecular formula of 6a,8a-dimethyl-9-(6-methylheptan-2-yl)-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,11a,11b,12-octadecahydroindeno[5,4-f]pyrimido[1,2-a]quinoline?
The molecular formula of 6a,8a-dimethyl-9-(6-methylheptan-2-yl)-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,11a,11b,12-octadecahydroindeno[5,4-f]pyrimido[1,2-a]quinoline is C29H50N2.
What is the molecular weight of 6a,8a-dimethyl-9-(6-methylheptan-2-yl)-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,11a,11b,12-octadecahydroindeno[5,4-f]pyrimido[1,2-a]quinoline?
The molecular weight of 6a,8a-dimethyl-9-(6-methylheptan-2-yl)-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,11a,11b,12-octadecahydroindeno[5,4-f]pyrimido[1,2-a]quinoline is 426.40 g/mol.
Where can I buy 6a,8a-dimethyl-9-(6-methylheptan-2-yl)-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,11a,11b,12-octadecahydroindeno[5,4-f]pyrimido[1,2-a]quinoline?
You can request a quote for 6a,8a-dimethyl-9-(6-methylheptan-2-yl)-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,11a,11b,12-octadecahydroindeno[5,4-f]pyrimido[1,2-a]quinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6a,8a-dimethyl-9-(6-methylheptan-2-yl)-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,11a,11b,12-octadecahydroindeno[5,4-f]pyrimido[1,2-a]quinoline?
Yes, KEHONG BIO provides custom synthesis services for 6a,8a-dimethyl-9-(6-methylheptan-2-yl)-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,11a,11b,12-octadecahydroindeno[5,4-f]pyrimido[1,2-a]quinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.