2H-1-Benzopyran-6-carboxylic acid, 3-(1H-imidazol-1-ylmethyl)-
TL;DR: 2H-1-Benzopyran-6-carboxylic acid, 3-(1H-imidazol-1-ylmethyl)- (CAS 129498-34-6) is a chemical compound with molecular formula C14H12N2O3 and molecular weight 256.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(imidazol-1-ylmethyl)-2H-chromene-6-carboxylic acid
Also Known As: 2H-1-Benzopyran-6-carboxylic acid, 3-(1H-imidazol-1-ylmethyl)-, 3-((1H-Imidazol-1-yl)methyl)-2H-chromene-6-carboxylic acid, 3-(1H-Imidazol-1-ylmethyl)-2H-1-benzopyran-6-carboxylic acid, 3-(imidazol-1-ylmethyl)-2H-chromene-6-carboxylic acid, 3-[(1H-imidazol-1-yl)methyl]-2H-chromene-6-carboxylic acid
| Molecular Formula | C14H12N2O3 |
|---|---|
| Molecular Weight | 256.08 g/mol |
| LogP | 2.0573 |
| Topological Polar Surface Area | 64.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 256.08478 |
| Heavy Atoms | 19 |
| Complexity | 644.71564 |
Chemical Identifiers
| CAS Number | 129498-34-6 |
|---|---|
| SMILES | C1C(=CC2=C(O1)C=CC(=C2)C(=O)O)CN3C=CN=C3 |
Product Overview
2H-1-Benzopyran-6-carboxylic acid, 3-(1H-imidazol-1-ylmethyl)- (CAS 129498-34-6), with molecular formula C14H12N2O3 and molecular weight 256.08 g/mol. IUPAC: 3-(imidazol-1-ylmethyl)-2H-chromene-6-carboxylic acid.
Chemical Property Profile of 2H-1-Benzopyran-6-carboxylic acid, 3-(1H-imidazol-1-ylmethyl)-
Property Insights of 2H-1-Benzopyran-6-carboxylic acid, 3-(1H-imidazol-1-ylmethyl)-
The XLogP value of 2.0573 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-1-Benzopyran-6-carboxylic acid, 3-(1H-imidazol-1-ylmethyl)-. The TPSA of 64.35 Ų falls within the moderate polarity range, balancing permeability and solubility for 2H-1-Benzopyran-6-carboxylic acid, 3-(1H-imidazol-1-ylmethyl)-. Following Lipinski's Rule of Five, 2H-1-Benzopyran-6-carboxylic acid, 3-(1H-imidazol-1-ylmethyl)- has 1 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 2H-1-Benzopyran-6-carboxylic acid, 3-(1H-imidazol-1-ylmethyl)-?
The CAS number of 2H-1-Benzopyran-6-carboxylic acid, 3-(1H-imidazol-1-ylmethyl)- is 129498-34-6.
What is the molecular formula of 2H-1-Benzopyran-6-carboxylic acid, 3-(1H-imidazol-1-ylmethyl)-?
The molecular formula of 2H-1-Benzopyran-6-carboxylic acid, 3-(1H-imidazol-1-ylmethyl)- is C14H12N2O3.
What is the molecular weight of 2H-1-Benzopyran-6-carboxylic acid, 3-(1H-imidazol-1-ylmethyl)-?
The molecular weight of 2H-1-Benzopyran-6-carboxylic acid, 3-(1H-imidazol-1-ylmethyl)- is 256.08 g/mol.
Where can I buy 2H-1-Benzopyran-6-carboxylic acid, 3-(1H-imidazol-1-ylmethyl)-?
You can request a quote for 2H-1-Benzopyran-6-carboxylic acid, 3-(1H-imidazol-1-ylmethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-1-Benzopyran-6-carboxylic acid, 3-(1H-imidazol-1-ylmethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2H-1-Benzopyran-6-carboxylic acid, 3-(1H-imidazol-1-ylmethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.