3,4-Dihydro-7,8-dihydroxy-2,2-dimethyl-2H-1-benzopyran-6-carboxylic acid
TL;DR: 3,4-Dihydro-7,8-dihydroxy-2,2-dimethyl-2H-1-benzopyran-6-carboxylic acid (CAS 86635-77-0) is a chemical compound with molecular formula C12H14O5 and molecular weight 238.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7,8-dihydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carboxylic acid
Also Known As: 7,8-dihydroxy-2,2-dimethylchromane-6-carboxylic acid, AP-960/41299865, 7,8-dihydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carboxylic acid, 7,8-dihydroxy-2,2-dimethylchromane-6-carboxylic acid, AldrichCPR, 3,4-Dihydro-7,8-dihydroxy-2,2-dimethyl-2H-1-benzopyran-6-carboxylic acid
| Molecular Formula | C12H14O5 |
|---|---|
| Molecular Weight | 238.08 g/mol |
| LogP | 1.8996 |
| Topological Polar Surface Area | 86.99 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 238.08412 |
| Heavy Atoms | 17 |
| Complexity | 490.15964 |
Chemical Identifiers
| CAS Number | 86635-77-0 |
|---|---|
| SMILES | CC1(CCC2=CC(=C(C(=C2O1)O)O)C(=O)O)C |
Product Overview
3,4-Dihydro-7,8-dihydroxy-2,2-dimethyl-2H-1-benzopyran-6-carboxylic acid (CAS 86635-77-0), with molecular formula C12H14O5 and molecular weight 238.08 g/mol. IUPAC: 7,8-dihydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carboxylic acid.
Chemical Property Profile of 3,4-Dihydro-7,8-dihydroxy-2,2-dimethyl-2H-1-benzopyran-6-carboxylic acid
Property Insights of 3,4-Dihydro-7,8-dihydroxy-2,2-dimethyl-2H-1-benzopyran-6-carboxylic acid
The XLogP value of 1.8996 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Dihydro-7,8-dihydroxy-2,2-dimethyl-2H-1-benzopyran-6-carboxylic acid. The TPSA of 86.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4-Dihydro-7,8-dihydroxy-2,2-dimethyl-2H-1-benzopyran-6-carboxylic acid. Following Lipinski's Rule of Five, 3,4-Dihydro-7,8-dihydroxy-2,2-dimethyl-2H-1-benzopyran-6-carboxylic acid has 3 hydrogen bond donor(s) and 4 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 3,4-Dihydro-7,8-dihydroxy-2,2-dimethyl-2H-1-benzopyran-6-carboxylic acid?
The CAS number of 3,4-Dihydro-7,8-dihydroxy-2,2-dimethyl-2H-1-benzopyran-6-carboxylic acid is 86635-77-0.
What is the molecular formula of 3,4-Dihydro-7,8-dihydroxy-2,2-dimethyl-2H-1-benzopyran-6-carboxylic acid?
The molecular formula of 3,4-Dihydro-7,8-dihydroxy-2,2-dimethyl-2H-1-benzopyran-6-carboxylic acid is C12H14O5.
What is the molecular weight of 3,4-Dihydro-7,8-dihydroxy-2,2-dimethyl-2H-1-benzopyran-6-carboxylic acid?
The molecular weight of 3,4-Dihydro-7,8-dihydroxy-2,2-dimethyl-2H-1-benzopyran-6-carboxylic acid is 238.08 g/mol.
Where can I buy 3,4-Dihydro-7,8-dihydroxy-2,2-dimethyl-2H-1-benzopyran-6-carboxylic acid?
You can request a quote for 3,4-Dihydro-7,8-dihydroxy-2,2-dimethyl-2H-1-benzopyran-6-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Dihydro-7,8-dihydroxy-2,2-dimethyl-2H-1-benzopyran-6-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dihydro-7,8-dihydroxy-2,2-dimethyl-2H-1-benzopyran-6-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.