1-Naphthaleneacetic acid, 1,2,3,4-tetrahydro-2-oxo-, methyl ester
TL;DR: 1-Naphthaleneacetic acid, 1,2,3,4-tetrahydro-2-oxo-, methyl ester (CAS 7531-31-9) is a chemical compound with molecular formula C13H14O3 and molecular weight 218.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(2-oxo-3,4-dihydro-1H-naphthalen-1-yl)acetate
Also Known As: Methyl (2-oxo-1,2,3,4-tetrahydro-1-naphthalenyl)acetate, methyl 2-(2-oxo-3,4-dihydro-1H-naphthalen-1-yl)acetate, Methyl (2-oxo-1,2,3,4-tetrahydro-1-naphthalenyl)acetate #, Methyl 2-(2-oxo-1,2,3,4-tetrahydronaphthalen-1-yl)acetate, 1,2,3,4-Tetrahydro-2-oxo-1-naphthalene acetic acid methyl ester
| Molecular Formula | C13H14O3 |
|---|---|
| Molecular Weight | 218.09 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 218.0943 |
| Heavy Atoms | 16 |
| Complexity | 285.0 |
Chemical Identifiers
| CAS Number | 7531-31-9 |
|---|---|
| SMILES | COC(=O)CC1C(=O)CCC2=CC=CC=C12 |
| InChIKey | AVLHEBLMJQSCNH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Naphthaleneacetic acid, 1,2,3,4-tetrahydro-2-oxo-, methyl ester (CAS 7531-31-9), with molecular formula C13H14O3 and molecular weight 218.09 g/mol. IUPAC: methyl 2-(2-oxo-3,4-dihydro-1H-naphthalen-1-yl)acetate.
Chemical Property Profile of 1-Naphthaleneacetic acid, 1,2,3,4-tetrahydro-2-oxo-, methyl ester
Property Insights of 1-Naphthaleneacetic acid, 1,2,3,4-tetrahydro-2-oxo-, methyl ester
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Naphthaleneacetic acid, 1,2,3,4-tetrahydro-2-oxo-, methyl ester. With a topological polar surface area (TPSA) of 43.4 Ų, 1-Naphthaleneacetic acid, 1,2,3,4-tetrahydro-2-oxo-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Naphthaleneacetic acid, 1,2,3,4-tetrahydro-2-oxo-, methyl ester 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 1-Naphthaleneacetic acid, 1,2,3,4-tetrahydro-2-oxo-, methyl ester?
The CAS number of 1-Naphthaleneacetic acid, 1,2,3,4-tetrahydro-2-oxo-, methyl ester is 7531-31-9.
What is the molecular formula of 1-Naphthaleneacetic acid, 1,2,3,4-tetrahydro-2-oxo-, methyl ester?
The molecular formula of 1-Naphthaleneacetic acid, 1,2,3,4-tetrahydro-2-oxo-, methyl ester is C13H14O3.
What is the molecular weight of 1-Naphthaleneacetic acid, 1,2,3,4-tetrahydro-2-oxo-, methyl ester?
The molecular weight of 1-Naphthaleneacetic acid, 1,2,3,4-tetrahydro-2-oxo-, methyl ester is 218.09 g/mol.
Where can I buy 1-Naphthaleneacetic acid, 1,2,3,4-tetrahydro-2-oxo-, methyl ester?
You can request a quote for 1-Naphthaleneacetic acid, 1,2,3,4-tetrahydro-2-oxo-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Naphthaleneacetic acid, 1,2,3,4-tetrahydro-2-oxo-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1-Naphthaleneacetic acid, 1,2,3,4-tetrahydro-2-oxo-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.