Methyl 7-oxo-1,3,4,5,6,7-hexahydronaphthalene-4a(2h)-carboxylate
TL;DR: Methyl 7-oxo-1,3,4,5,6,7-hexahydronaphthalene-4a(2h)-carboxylate (CAS 29741-00-2) is a chemical compound with molecular formula C12H16O3 and molecular weight 208.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 7-oxo-1,2,3,4,5,6-hexahydronaphthalene-4a-carboxylate
Also Known As: methyl 7-oxo-1,3,4,5,6,7-hexahydronaphthalene-4a(2h)-carboxylate, methyl 7-oxo-1,2,3,4,5,6-hexahydronaphthalene-4a-carboxylate, 4a(2H)-Naphthalenecarboxylicacid, 1,3,4,5,6,7-hexahydro-7-oxo-, methyl ester
| Molecular Formula | C12H16O3 |
|---|---|
| Molecular Weight | 208.11 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 208.10994 |
| Heavy Atoms | 15 |
| Complexity | 330.0 |
Chemical Identifiers
| CAS Number | 29741-00-2 |
|---|---|
| SMILES | COC(=O)C12CCCCC1=CC(=O)CC2 |
| InChIKey | YRYCLVQMRDJBRL-UHFFFAOYSA-N |
Product Overview
Methyl 7-oxo-1,3,4,5,6,7-hexahydronaphthalene-4a(2h)-carboxylate (CAS 29741-00-2), with molecular formula C12H16O3 and molecular weight 208.11 g/mol. IUPAC: methyl 7-oxo-1,2,3,4,5,6-hexahydronaphthalene-4a-carboxylate.
Chemical Property Profile of Methyl 7-oxo-1,3,4,5,6,7-hexahydronaphthalene-4a(2h)-carboxylate
Property Insights of Methyl 7-oxo-1,3,4,5,6,7-hexahydronaphthalene-4a(2h)-carboxylate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 7-oxo-1,3,4,5,6,7-hexahydronaphthalene-4a(2h)-carboxylate. With a topological polar surface area (TPSA) of 43.4 Ų, Methyl 7-oxo-1,3,4,5,6,7-hexahydronaphthalene-4a(2h)-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 7-oxo-1,3,4,5,6,7-hexahydronaphthalene-4a(2h)-carboxylate has 0 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 Methyl 7-oxo-1,3,4,5,6,7-hexahydronaphthalene-4a(2h)-carboxylate?
The CAS number of Methyl 7-oxo-1,3,4,5,6,7-hexahydronaphthalene-4a(2h)-carboxylate is 29741-00-2.
What is the molecular formula of Methyl 7-oxo-1,3,4,5,6,7-hexahydronaphthalene-4a(2h)-carboxylate?
The molecular formula of Methyl 7-oxo-1,3,4,5,6,7-hexahydronaphthalene-4a(2h)-carboxylate is C12H16O3.
What is the molecular weight of Methyl 7-oxo-1,3,4,5,6,7-hexahydronaphthalene-4a(2h)-carboxylate?
The molecular weight of Methyl 7-oxo-1,3,4,5,6,7-hexahydronaphthalene-4a(2h)-carboxylate is 208.11 g/mol.
Where can I buy Methyl 7-oxo-1,3,4,5,6,7-hexahydronaphthalene-4a(2h)-carboxylate?
You can request a quote for Methyl 7-oxo-1,3,4,5,6,7-hexahydronaphthalene-4a(2h)-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 7-oxo-1,3,4,5,6,7-hexahydronaphthalene-4a(2h)-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 7-oxo-1,3,4,5,6,7-hexahydronaphthalene-4a(2h)-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.