dimethyl 8-methyl-3,4,4a,7-tetrahydro-2H-chromene-5,6-dicarboxylate
TL;DR: dimethyl 8-methyl-3,4,4a,7-tetrahydro-2H-chromene-5,6-dicarboxylate (CAS 74938-54-8) is a chemical compound with molecular formula C14H18O5 and molecular weight 266.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 8-methyl-3,4,4a,7-tetrahydro-2H-chromene-5,6-dicarboxylate
Also Known As: dimethyl 8-methyl-3,4,4a,7-tetrahydro-2H-chromene-5,6-dicarboxylate, dimethyl 8-methyl-3,4,4a,7-tetrahydro-2H-chromene-5,6-dicarb, Dimethyl 8-methyl-3,4,4a,7-tetrahydro-2H-1-benzopyran-5,6-dicarboxylate
| Molecular Formula | C14H18O5 |
|---|---|
| Molecular Weight | 266.12 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 266.11542 |
| Heavy Atoms | 19 |
| Complexity | 472.0 |
Chemical Identifiers
| CAS Number | 74938-54-8 |
|---|---|
| SMILES | CC1=C2C(CCCO2)C(=C(C1)C(=O)OC)C(=O)OC |
| InChIKey | IHVMBBLYIKLUFT-UHFFFAOYSA-N |
Product Overview
dimethyl 8-methyl-3,4,4a,7-tetrahydro-2H-chromene-5,6-dicarboxylate (CAS 74938-54-8), with molecular formula C14H18O5 and molecular weight 266.12 g/mol. IUPAC: dimethyl 8-methyl-3,4,4a,7-tetrahydro-2H-chromene-5,6-dicarboxylate.
Chemical Property Profile of dimethyl 8-methyl-3,4,4a,7-tetrahydro-2H-chromene-5,6-dicarboxylate
Property Insights of dimethyl 8-methyl-3,4,4a,7-tetrahydro-2H-chromene-5,6-dicarboxylate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for dimethyl 8-methyl-3,4,4a,7-tetrahydro-2H-chromene-5,6-dicarboxylate. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for dimethyl 8-methyl-3,4,4a,7-tetrahydro-2H-chromene-5,6-dicarboxylate. Following Lipinski's Rule of Five, dimethyl 8-methyl-3,4,4a,7-tetrahydro-2H-chromene-5,6-dicarboxylate has 0 hydrogen bond donor(s) and 5 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 dimethyl 8-methyl-3,4,4a,7-tetrahydro-2H-chromene-5,6-dicarboxylate?
The CAS number of dimethyl 8-methyl-3,4,4a,7-tetrahydro-2H-chromene-5,6-dicarboxylate is 74938-54-8.
What is the molecular formula of dimethyl 8-methyl-3,4,4a,7-tetrahydro-2H-chromene-5,6-dicarboxylate?
The molecular formula of dimethyl 8-methyl-3,4,4a,7-tetrahydro-2H-chromene-5,6-dicarboxylate is C14H18O5.
What is the molecular weight of dimethyl 8-methyl-3,4,4a,7-tetrahydro-2H-chromene-5,6-dicarboxylate?
The molecular weight of dimethyl 8-methyl-3,4,4a,7-tetrahydro-2H-chromene-5,6-dicarboxylate is 266.12 g/mol.
Where can I buy dimethyl 8-methyl-3,4,4a,7-tetrahydro-2H-chromene-5,6-dicarboxylate?
You can request a quote for dimethyl 8-methyl-3,4,4a,7-tetrahydro-2H-chromene-5,6-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for dimethyl 8-methyl-3,4,4a,7-tetrahydro-2H-chromene-5,6-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for dimethyl 8-methyl-3,4,4a,7-tetrahydro-2H-chromene-5,6-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.