Methyl 2,2-dimethylchromene-6-carboxylate
TL;DR: Methyl 2,2-dimethylchromene-6-carboxylate (CAS 34818-57-0) 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-dimethylchromene-6-carboxylate
Also Known As: methyl 2,2-dimethylchromene-6-carboxylate, 2,2-dimethyl-6-carboxychromene methyl ester, 2,2-dimethyl-6-methoxycarbonyl-2h-benzopyran, J1.006.316G, methyl 2,2-dimethyl-2H-chromene-6-carboxylate
| Molecular Formula | C13H14O3 |
|---|---|
| Molecular Weight | 218.09 g/mol |
| LogP | 2.6574 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 218.0943 |
| Heavy Atoms | 16 |
| Complexity | 458.24554 |
Chemical Identifiers
| CAS Number | 34818-57-0 |
|---|---|
| SMILES | CC1(C=CC2=C(O1)C=CC(=C2)C(=O)OC)C |
Product Overview
Methyl 2,2-dimethylchromene-6-carboxylate (CAS 34818-57-0), with molecular formula C13H14O3 and molecular weight 218.09 g/mol. IUPAC: methyl 2,2-dimethylchromene-6-carboxylate.
Chemical Property Profile of Methyl 2,2-dimethylchromene-6-carboxylate
Property Insights of Methyl 2,2-dimethylchromene-6-carboxylate
The XLogP value of 2.6574 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2,2-dimethylchromene-6-carboxylate. With a topological polar surface area (TPSA) of 35.53 Ų, Methyl 2,2-dimethylchromene-6-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2,2-dimethylchromene-6-carboxylate 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 Methyl 2,2-dimethylchromene-6-carboxylate?
The CAS number of Methyl 2,2-dimethylchromene-6-carboxylate is 34818-57-0.
What is the molecular formula of Methyl 2,2-dimethylchromene-6-carboxylate?
The molecular formula of Methyl 2,2-dimethylchromene-6-carboxylate is C13H14O3.
What is the molecular weight of Methyl 2,2-dimethylchromene-6-carboxylate?
The molecular weight of Methyl 2,2-dimethylchromene-6-carboxylate is 218.09 g/mol.
Where can I buy Methyl 2,2-dimethylchromene-6-carboxylate?
You can request a quote for Methyl 2,2-dimethylchromene-6-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2,2-dimethylchromene-6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2,2-dimethylchromene-6-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.