6-methyl-undeca-5,9-dien-2-one
TL;DR: 6-methyl-undeca-5,9-dien-2-one (CAS 105522-54-1) is a chemical compound with molecular formula C18H17N5O3 and molecular weight 351.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-benzyl-8-(furan-2-ylmethylamino)-3-methylpurine-2,6-dione
Also Known As: 6-methyl-undeca-5,9-dien-2-one, 7-Benzyl-8-(2-furylmethylamino)-3-methylxanthine, BAS 06502905, 1H-Purine-2,6-dione, 3,7-dihydro-8-((2-furanylmethyl)amino)-3-methyl-7-(phenylmethyl)-, 7-benzyl-8-(furan-2-ylmethylamino)-3-methylpurine-2,6-dione
| Molecular Formula | C18H17N5O3 |
|---|---|
| Molecular Weight | 351.13 g/mol |
| LogP | 1.6767 |
| Topological Polar Surface Area | 97.85 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 351.13315 |
| Heavy Atoms | 26 |
| Complexity | 1153.4753 |
Chemical Identifiers
| CAS Number | 105522-54-1 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)NCC3=CC=CO3)CC4=CC=CC=C4 |
Product Overview
6-methyl-undeca-5,9-dien-2-one (CAS 105522-54-1), with molecular formula C18H17N5O3 and molecular weight 351.13 g/mol. IUPAC: 7-benzyl-8-(furan-2-ylmethylamino)-3-methylpurine-2,6-dione.
Chemical Property Profile of 6-methyl-undeca-5,9-dien-2-one
Property Insights of 6-methyl-undeca-5,9-dien-2-one
The XLogP value of 1.6767 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-methyl-undeca-5,9-dien-2-one. The TPSA of 97.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-methyl-undeca-5,9-dien-2-one. Following Lipinski's Rule of Five, 6-methyl-undeca-5,9-dien-2-one has 2 hydrogen bond donor(s) and 5 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 6-methyl-undeca-5,9-dien-2-one?
The CAS number of 6-methyl-undeca-5,9-dien-2-one is 105522-54-1.
What is the molecular formula of 6-methyl-undeca-5,9-dien-2-one?
The molecular formula of 6-methyl-undeca-5,9-dien-2-one is C18H17N5O3.
What is the molecular weight of 6-methyl-undeca-5,9-dien-2-one?
The molecular weight of 6-methyl-undeca-5,9-dien-2-one is 351.13 g/mol.
Where can I buy 6-methyl-undeca-5,9-dien-2-one?
You can request a quote for 6-methyl-undeca-5,9-dien-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-methyl-undeca-5,9-dien-2-one?
Yes, KEHONG BIO provides custom synthesis services for 6-methyl-undeca-5,9-dien-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.