Dimethyl 2-methyl-1,6a,6b-triazacyclopenta(cd)pentalene-3,4-dicarboxylate
TL;DR: Dimethyl 2-methyl-1,6a,6b-triazacyclopenta(cd)pentalene-3,4-dicarboxylate (CAS 67279-91-8) is a chemical compound with molecular formula C12H11N3O4 and molecular weight 261.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 3-methyl-1,2,10-triazatricyclo[5.2.1.04,10]deca-2,4,6,8-tetraene-5,6-dicarboxylate
Also Known As: dimethyl methyl[?]dicarboxylate, Dimethyl 2-methyl-1,6a,6b-triazacyclopenta(cd)pentalene-3,4-dicarboxylate, 2-methyl-1,6a,6b-triaza-cyclopenta[cd]pentalene-3,4-dicarbox, Dimethyl 2-methyl-1,6a,6b-triazacyclopenta[cd]pentalene-3,4-dicarboxylate, 1,6A,6B-TRIAZACYCLOPENTA(CD)PENTALENE-3,4-DICARBOXYLIC ACID, 2-METHYL-, DIMETHYL ESTER
| Molecular Formula | C12H11N3O4 |
|---|---|
| Molecular Weight | 261.07 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 74.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 261.07495 |
| Heavy Atoms | 19 |
| Complexity | 416.0 |
Chemical Identifiers
| CAS Number | 67279-91-8 |
|---|---|
| SMILES | CC1=NN2C=CC3=C(C(=C1N32)C(=O)OC)C(=O)OC |
| InChIKey | DAHUOPADRWXKHV-UHFFFAOYSA-N |
Product Overview
Dimethyl 2-methyl-1,6a,6b-triazacyclopenta(cd)pentalene-3,4-dicarboxylate (CAS 67279-91-8), with molecular formula C12H11N3O4 and molecular weight 261.07 g/mol. IUPAC: dimethyl 3-methyl-1,2,10-triazatricyclo[5.2.1.04,10]deca-2,4,6,8-tetraene-5,6-dicarboxylate.
Chemical Property Profile of Dimethyl 2-methyl-1,6a,6b-triazacyclopenta(cd)pentalene-3,4-dicarboxylate
Property Insights of Dimethyl 2-methyl-1,6a,6b-triazacyclopenta(cd)pentalene-3,4-dicarboxylate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 2-methyl-1,6a,6b-triazacyclopenta(cd)pentalene-3,4-dicarboxylate. The TPSA of 74.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 2-methyl-1,6a,6b-triazacyclopenta(cd)pentalene-3,4-dicarboxylate. Following Lipinski's Rule of Five, Dimethyl 2-methyl-1,6a,6b-triazacyclopenta(cd)pentalene-3,4-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 2-methyl-1,6a,6b-triazacyclopenta(cd)pentalene-3,4-dicarboxylate?
The CAS number of Dimethyl 2-methyl-1,6a,6b-triazacyclopenta(cd)pentalene-3,4-dicarboxylate is 67279-91-8.
What is the molecular formula of Dimethyl 2-methyl-1,6a,6b-triazacyclopenta(cd)pentalene-3,4-dicarboxylate?
The molecular formula of Dimethyl 2-methyl-1,6a,6b-triazacyclopenta(cd)pentalene-3,4-dicarboxylate is C12H11N3O4.
What is the molecular weight of Dimethyl 2-methyl-1,6a,6b-triazacyclopenta(cd)pentalene-3,4-dicarboxylate?
The molecular weight of Dimethyl 2-methyl-1,6a,6b-triazacyclopenta(cd)pentalene-3,4-dicarboxylate is 261.07 g/mol.
Where can I buy Dimethyl 2-methyl-1,6a,6b-triazacyclopenta(cd)pentalene-3,4-dicarboxylate?
You can request a quote for Dimethyl 2-methyl-1,6a,6b-triazacyclopenta(cd)pentalene-3,4-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 2-methyl-1,6a,6b-triazacyclopenta(cd)pentalene-3,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 2-methyl-1,6a,6b-triazacyclopenta(cd)pentalene-3,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.