3-pyridinecarboxylic acid,2,5-dimethyl
TL;DR: 3-pyridinecarboxylic acid,2,5-dimethyl (CAS 129477-46-9) is a chemical compound with molecular formula C19H20N2O2S and molecular weight 340.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13-(4-methoxyphenyl)-4-methyl-5-thia-13,14-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3-trien-12-one
Also Known As: 3-pyridinecarboxylic acid,2,5-dimethyl, 3H-Thieno(2',3':6,7)cyclohepta(1,2-c)pyridazin-3-one, 2,4,4a,5,6,7-hexahydro-2-(4-methoxyphenyl)-9-methyl-, 2-(4-Methoxyphenyl)-9-methyl-2,4,4a,5,6,7-hexahydro-3H-thieno[2',3':6,7]cyclohepta[1,2-c]pyridazin-3-one, 2-(4-methoxyphenyl)-9-methyl-4a,5,6,7-tetrahydro-4H-thieno[1,2]cyclohepta[4,6-d]pyridazin-3-one, RefChem:283337
| Molecular Formula | C19H20N2O2S |
|---|---|
| Molecular Weight | 340.12 g/mol |
| LogP | 4.15862 |
| Topological Polar Surface Area | 41.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 340.12454 |
| Heavy Atoms | 24 |
| Complexity | 807.27435 |
Chemical Identifiers
| CAS Number | 129477-46-9 |
|---|---|
| SMILES | CC1=CC2=C(S1)CCCC3C2=NN(C(=O)C3)C4=CC=C(C=C4)OC |
Product Overview
3-pyridinecarboxylic acid,2,5-dimethyl (CAS 129477-46-9), with molecular formula C19H20N2O2S and molecular weight 340.12 g/mol. IUPAC: 13-(4-methoxyphenyl)-4-methyl-5-thia-13,14-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3-trien-12-one.
Chemical Property Profile of 3-pyridinecarboxylic acid,2,5-dimethyl
Property Insights of 3-pyridinecarboxylic acid,2,5-dimethyl
The XLogP value of 4.15862 indicates that 3-pyridinecarboxylic acid,2,5-dimethyl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.9 Ų, 3-pyridinecarboxylic acid,2,5-dimethyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-pyridinecarboxylic acid,2,5-dimethyl has 0 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-pyridinecarboxylic acid,2,5-dimethyl?
The CAS number of 3-pyridinecarboxylic acid,2,5-dimethyl is 129477-46-9.
What is the molecular formula of 3-pyridinecarboxylic acid,2,5-dimethyl?
The molecular formula of 3-pyridinecarboxylic acid,2,5-dimethyl is C19H20N2O2S.
What is the molecular weight of 3-pyridinecarboxylic acid,2,5-dimethyl?
The molecular weight of 3-pyridinecarboxylic acid,2,5-dimethyl is 340.12 g/mol.
Where can I buy 3-pyridinecarboxylic acid,2,5-dimethyl?
You can request a quote for 3-pyridinecarboxylic acid,2,5-dimethyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-pyridinecarboxylic acid,2,5-dimethyl?
Yes, KEHONG BIO provides custom synthesis services for 3-pyridinecarboxylic acid,2,5-dimethyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.