methyl 2,2-dimethyl-1,2,3,4,4a,5,6,7-octahydro-1,3-methanonaphthalene-5-carboxylate
TL;DR: methyl 2,2-dimethyl-1,2,3,4,4a,5,6,7-octahydro-1,3-methanonaphthalene-5-carboxylate (CAS 6014-72-8) is a chemical compound with molecular formula C15H22O2 and molecular weight 234.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 10,10-dimethyltricyclo[7.1.1.02,7]undec-2-ene-6-carboxylate
Also Known As: methyl 2,2-dimethyl-1,2,3,4,4a,5,6,7-octahydro-1,3-methanonaphthalene-5-carboxylate, methyl 2,2-dimethyl-1,2,3,4,4a,5,6,7-octahydro-1,3-methanona, 5-(2,4-dimethoxybenzyl)-2-thioxodihydropyrimidine-4,6(1h,5h)-dione
| Molecular Formula | C15H22O2 |
|---|---|
| Molecular Weight | 234.16 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 234.16199 |
| Heavy Atoms | 17 |
| Complexity | 380.0 |
Chemical Identifiers
| CAS Number | 6014-72-8 |
|---|---|
| SMILES | CC1(C2CC3C(CCC=C3C1C2)C(=O)OC)C |
| InChIKey | HBLBSKAYAKYPKA-UHFFFAOYSA-N |
Product Overview
methyl 2,2-dimethyl-1,2,3,4,4a,5,6,7-octahydro-1,3-methanonaphthalene-5-carboxylate (CAS 6014-72-8), with molecular formula C15H22O2 and molecular weight 234.16 g/mol. IUPAC: methyl 10,10-dimethyltricyclo[7.1.1.02,7]undec-2-ene-6-carboxylate.
Chemical Property Profile of methyl 2,2-dimethyl-1,2,3,4,4a,5,6,7-octahydro-1,3-methanonaphthalene-5-carboxylate
Property Insights of methyl 2,2-dimethyl-1,2,3,4,4a,5,6,7-octahydro-1,3-methanonaphthalene-5-carboxylate
The XLogP value of 3.1 indicates that methyl 2,2-dimethyl-1,2,3,4,4a,5,6,7-octahydro-1,3-methanonaphthalene-5-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, methyl 2,2-dimethyl-1,2,3,4,4a,5,6,7-octahydro-1,3-methanonaphthalene-5-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 2,2-dimethyl-1,2,3,4,4a,5,6,7-octahydro-1,3-methanonaphthalene-5-carboxylate has 0 hydrogen bond donor(s) and 2 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 methyl 2,2-dimethyl-1,2,3,4,4a,5,6,7-octahydro-1,3-methanonaphthalene-5-carboxylate?
The CAS number of methyl 2,2-dimethyl-1,2,3,4,4a,5,6,7-octahydro-1,3-methanonaphthalene-5-carboxylate is 6014-72-8.
What is the molecular formula of methyl 2,2-dimethyl-1,2,3,4,4a,5,6,7-octahydro-1,3-methanonaphthalene-5-carboxylate?
The molecular formula of methyl 2,2-dimethyl-1,2,3,4,4a,5,6,7-octahydro-1,3-methanonaphthalene-5-carboxylate is C15H22O2.
What is the molecular weight of methyl 2,2-dimethyl-1,2,3,4,4a,5,6,7-octahydro-1,3-methanonaphthalene-5-carboxylate?
The molecular weight of methyl 2,2-dimethyl-1,2,3,4,4a,5,6,7-octahydro-1,3-methanonaphthalene-5-carboxylate is 234.16 g/mol.
Where can I buy methyl 2,2-dimethyl-1,2,3,4,4a,5,6,7-octahydro-1,3-methanonaphthalene-5-carboxylate?
You can request a quote for methyl 2,2-dimethyl-1,2,3,4,4a,5,6,7-octahydro-1,3-methanonaphthalene-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2,2-dimethyl-1,2,3,4,4a,5,6,7-octahydro-1,3-methanonaphthalene-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2,2-dimethyl-1,2,3,4,4a,5,6,7-octahydro-1,3-methanonaphthalene-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.