trans-Decalin, 1a-methyl
TL;DR: trans-Decalin, 1a-methyl (CAS 4683-95-8) is a chemical compound with molecular formula C11H20 and molecular weight 152.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,4aR,8aR)-1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
Also Known As: trans-Decalin, 1a-methyl, NAPHTHALENE, DECAHYDROMETHYL-, (1R,4aR,8aR)-1-methyl-decahydronaphthalene, rel-(1R,4aR,8aR)-Decahydro-1-methylnaphthalene, (4aalpha,8abeta)-1alpha-Methyldecahydronaphthalene
| Molecular Formula | C11H20 |
|---|---|
| Molecular Weight | 152.16 g/mol |
| LogP | 3.6128 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 152.1565 |
| Heavy Atoms | 11 |
| Complexity | 126.0 |
Chemical Identifiers
| CAS Number | 4683-95-8 |
|---|---|
| SMILES | C[C@@H]1CCC[C@@H]2[C@@H]1CCCC2 |
Product Overview
trans-Decalin, 1a-methyl (CAS 4683-95-8), with molecular formula C11H20 and molecular weight 152.16 g/mol. IUPAC: (1R,4aR,8aR)-1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.
Chemical Property Profile of trans-Decalin, 1a-methyl
Property Insights of trans-Decalin, 1a-methyl
The XLogP value of 3.6128 indicates that trans-Decalin, 1a-methyl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, trans-Decalin, 1a-methyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, trans-Decalin, 1a-methyl has 0 hydrogen bond donor(s) and 0 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 trans-Decalin, 1a-methyl?
The CAS number of trans-Decalin, 1a-methyl is 4683-95-8.
What is the molecular formula of trans-Decalin, 1a-methyl?
The molecular formula of trans-Decalin, 1a-methyl is C11H20.
What is the molecular weight of trans-Decalin, 1a-methyl?
The molecular weight of trans-Decalin, 1a-methyl is 152.16 g/mol.
Where can I buy trans-Decalin, 1a-methyl?
You can request a quote for trans-Decalin, 1a-methyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for trans-Decalin, 1a-methyl?
Yes, KEHONG BIO provides custom synthesis services for trans-Decalin, 1a-methyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.