5,5'-亚甲基双(2,3-甲基苯甲酸)
TL;DR: 5,5'-亚甲基双(2,3-甲基苯甲酸) (CAS 2581-36-4) is a chemical compound with molecular formula C17H16O6 and molecular weight 316.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,5'-亚甲基双(2,3-甲基苯甲酸)
5-[(3-carboxy-4-hydroxy-5-methylphenyl)methyl]-2-hydroxy-3-methylbenzoic acid
Also Known As: 5,5'-Methylenedi-2,3-cresotic acid, 2, 5,5'-methylenedi-, o-Cresotic acid, 5,5'-methylenedi-, 5,5'-Methylenedi-o-cresotic acid, 2,3-CRESOTIC ACID, 5,5'-METHYLENEDI-
| Molecular Formula | C17H16O6 |
|---|---|
| Molecular Weight | 316.09 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 316.0947 |
| Heavy Atoms | 23 |
| Complexity | 410.0 |
Chemical Identifiers
| CAS Number | 2581-36-4 |
|---|---|
| SMILES | CC1=CC(=CC(=C1O)C(=O)O)CC2=CC(=C(C(=C2)C)O)C(=O)O |
| InChIKey | UPLNCYRSCVJILM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5,5'-亚甲基双(2,3-甲基苯甲酸) (CAS 2581-36-4), with molecular formula C17H16O6 and molecular weight 316.09 g/mol. IUPAC: 5-[(3-carboxy-4-hydroxy-5-methylphenyl)methyl]-2-hydroxy-3-methylbenzoic acid.
Chemical Property Profile of 5,5'-亚甲基双(2,3-甲基苯甲酸)
Property Insights of 5,5'-亚甲基双(2,3-甲基苯甲酸)
The XLogP value of 4.0 indicates that 5,5'-亚甲基双(2,3-甲基苯甲酸) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5,5'-亚甲基双(2,3-甲基苯甲酸). Following Lipinski's Rule of Five, 5,5'-亚甲基双(2,3-甲基苯甲酸) has 4 hydrogen bond donor(s) and 6 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 5,5'-亚甲基双(2,3-甲基苯甲酸)?
The CAS number of 5,5'-亚甲基双(2,3-甲基苯甲酸) is 2581-36-4.
What is the molecular formula of 5,5'-亚甲基双(2,3-甲基苯甲酸)?
The molecular formula of 5,5'-亚甲基双(2,3-甲基苯甲酸) is C17H16O6.
What is the molecular weight of 5,5'-亚甲基双(2,3-甲基苯甲酸)?
The molecular weight of 5,5'-亚甲基双(2,3-甲基苯甲酸) is 316.09 g/mol.
Where can I buy 5,5'-亚甲基双(2,3-甲基苯甲酸)?
You can request a quote for 5,5'-亚甲基双(2,3-甲基苯甲酸) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,5'-亚甲基双(2,3-甲基苯甲酸)?
Yes, KEHONG BIO provides custom synthesis services for 5,5'-亚甲基双(2,3-甲基苯甲酸) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.