1-甲基-3,4-二氢萘-2-甲酸
TL;DR: 1-甲基-3,4-二氢萘-2-甲酸 (CAS 68667-09-4) is a chemical compound with molecular formula C12H12O2 and molecular weight 188.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-甲基-3,4-二氢萘-2-甲酸
1-methyl-3,4-dihydronaphthalene-2-carboxylic acid
Also Known As: 1-methyl-3,4-dihydronaphthalene-2-carboxylic acid, 1-Methyl-3,4-dihydro-2-naphthoic acid, 1-methyl-3,4-dihydro-[2]naphthoic acid, J3.444.531A, 2-Naphthalenecarboxylicacid, 3,4-dihydro-1-methyl-
| Molecular Formula | C12H12O2 |
|---|---|
| Molecular Weight | 188.08 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 188.08372 |
| Heavy Atoms | 14 |
| Complexity | 278.0 |
Chemical Identifiers
| CAS Number | 68667-09-4 |
|---|---|
| SMILES | CC1=C(CCC2=CC=CC=C12)C(=O)O |
| InChIKey | BIWORKOXNUWVKT-UHFFFAOYSA-N |
Product Overview
1-甲基-3,4-二氢萘-2-甲酸 (CAS 68667-09-4), with molecular formula C12H12O2 and molecular weight 188.08 g/mol. IUPAC: 1-methyl-3,4-dihydronaphthalene-2-carboxylic acid.
Chemical Property Profile of 1-甲基-3,4-二氢萘-2-甲酸
Property Insights of 1-甲基-3,4-二氢萘-2-甲酸
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-甲基-3,4-二氢萘-2-甲酸. With a topological polar surface area (TPSA) of 37.3 Ų, 1-甲基-3,4-二氢萘-2-甲酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-甲基-3,4-二氢萘-2-甲酸 has 1 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 1-甲基-3,4-二氢萘-2-甲酸?
The CAS number of 1-甲基-3,4-二氢萘-2-甲酸 is 68667-09-4.
What is the molecular formula of 1-甲基-3,4-二氢萘-2-甲酸?
The molecular formula of 1-甲基-3,4-二氢萘-2-甲酸 is C12H12O2.
What is the molecular weight of 1-甲基-3,4-二氢萘-2-甲酸?
The molecular weight of 1-甲基-3,4-二氢萘-2-甲酸 is 188.08 g/mol.
Where can I buy 1-甲基-3,4-二氢萘-2-甲酸?
You can request a quote for 1-甲基-3,4-二氢萘-2-甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-甲基-3,4-二氢萘-2-甲酸?
Yes, KEHONG BIO provides custom synthesis services for 1-甲基-3,4-二氢萘-2-甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.