ChemDiv1_025191
TL;DR: ChemDiv1_025191 (CAS 329368-31-2) is a chemical compound with molecular formula C15H15N3O4 and molecular weight 301.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-(2,5-dimethylphenyl)-4,6-dioxo-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-3-carboxylate
Also Known As: ChemDiv1_025191, A1156/0054071, methyl 5-(2,5-dimethylphenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate, METHYL 5-(2,5-DIMETHYLPHENYL)-4,6-DIOXO-1H,3AH,4H,5H,6H,6AH-PYRROLO[3,4-C]PYRAZOLE-3-CARBOXYLATE, methyl 5-(2,5-dimethylphenyl)-4,6-dioxo-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-3-carboxylate
| Molecular Formula | C15H15N3O4 |
|---|---|
| Molecular Weight | 301.11 g/mol |
| LogP | 0.29364 |
| Topological Polar Surface Area | 88.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 301.10626 |
| Heavy Atoms | 22 |
| Complexity | 725.4978 |
Chemical Identifiers
| CAS Number | 329368-31-2 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)N2C(=O)C3C(C2=O)NN=C3C(=O)OC |
Product Overview
ChemDiv1_025191 (CAS 329368-31-2), with molecular formula C15H15N3O4 and molecular weight 301.11 g/mol. IUPAC: methyl 5-(2,5-dimethylphenyl)-4,6-dioxo-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-3-carboxylate.
Chemical Property Profile of ChemDiv1_025191
Property Insights of ChemDiv1_025191
The XLogP value of 0.29364 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_025191. The TPSA of 88.07 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_025191. Following Lipinski's Rule of Five, ChemDiv1_025191 has 1 hydrogen bond donor(s) and 6 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 ChemDiv1_025191?
The CAS number of ChemDiv1_025191 is 329368-31-2.
What is the molecular formula of ChemDiv1_025191?
The molecular formula of ChemDiv1_025191 is C15H15N3O4.
What is the molecular weight of ChemDiv1_025191?
The molecular weight of ChemDiv1_025191 is 301.11 g/mol.
Where can I buy ChemDiv1_025191?
You can request a quote for ChemDiv1_025191 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_025191?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_025191 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.