Manicol
TL;DR: Manicol (CAS 76235-60-4) is a chemical compound with molecular formula C15H18O3 and molecular weight 246.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-4-methyl-7-prop-1-en-2-yl-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
Also Known As: Manicol, NICOLINE, NCI60_002676, 6-hydroxy-3-isopropenyl-8-methyl-tetralin-5-carboxylic acid, 6H-Benzocyclohepten-6-one, 1,2,3,4-tetrahydro-5,7-dihydroxy-9-methyl-2-(1-methylethenyl)-, (R)-
| Molecular Formula | C15H18O3 |
|---|---|
| Molecular Weight | 246.13 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 246.1256 |
| Heavy Atoms | 18 |
| Complexity | 350.0 |
Chemical Identifiers
| CAS Number | 76235-60-4 |
|---|---|
| SMILES | CC1=CC(=C(C2=C1CCC(C2)C(=C)C)C(=O)O)O |
| InChIKey | GOBPGMOBZHNSGZ-UHFFFAOYSA-N |
Product Overview
Manicol (CAS 76235-60-4), with molecular formula C15H18O3 and molecular weight 246.13 g/mol. IUPAC: 2-hydroxy-4-methyl-7-prop-1-en-2-yl-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid.
Chemical Property Profile of Manicol
Property Insights of Manicol
The XLogP value of 4.4 indicates that Manicol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.5 Ų, Manicol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Manicol has 2 hydrogen bond donor(s) and 3 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 Manicol?
The CAS number of Manicol is 76235-60-4.
What is the molecular formula of Manicol?
The molecular formula of Manicol is C15H18O3.
What is the molecular weight of Manicol?
The molecular weight of Manicol is 246.13 g/mol.
Where can I buy Manicol?
You can request a quote for Manicol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Manicol?
Yes, KEHONG BIO provides custom synthesis services for Manicol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.