TimTec1_005695
TL;DR: TimTec1_005695 (CAS 309290-13-9) is a chemical compound with molecular formula C21H21N3O2 and molecular weight 347.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(3,4-dimethylphenyl)-1-methyl-4-phenyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
Also Known As: TimTec1_005695, A2163/0090837, 6-(3,4-dimethylphenyl)-1-methyl-4-phenyl-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione, 6-(3,4-DIMETHYLPHENYL)-1-METHYL-4-PHENYL-1H,2H,3H,4H,5H,6H,7H-PYRROLO[3,4-D]PYRIMIDINE-2,5-DIONE, 6-(3,4-dimethylphenyl)-1-methyl-4-phenyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
| Molecular Formula | C21H21N3O2 |
|---|---|
| Molecular Weight | 347.16 g/mol |
| LogP | 3.30044 |
| Topological Polar Surface Area | 52.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 347.1634 |
| Heavy Atoms | 26 |
| Complexity | 933.5273 |
Chemical Identifiers
| CAS Number | 309290-13-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N2CC3=C(C2=O)C(NC(=O)N3C)C4=CC=CC=C4)C |
Product Overview
TimTec1_005695 (CAS 309290-13-9), with molecular formula C21H21N3O2 and molecular weight 347.16 g/mol. IUPAC: 6-(3,4-dimethylphenyl)-1-methyl-4-phenyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione.
Chemical Property Profile of TimTec1_005695
Property Insights of TimTec1_005695
The XLogP value of 3.30044 indicates that TimTec1_005695 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.65 Ų, TimTec1_005695 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, TimTec1_005695 has 1 hydrogen bond donor(s) and 2 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 TimTec1_005695?
The CAS number of TimTec1_005695 is 309290-13-9.
What is the molecular formula of TimTec1_005695?
The molecular formula of TimTec1_005695 is C21H21N3O2.
What is the molecular weight of TimTec1_005695?
The molecular weight of TimTec1_005695 is 347.16 g/mol.
Where can I buy TimTec1_005695?
You can request a quote for TimTec1_005695 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TimTec1_005695?
Yes, KEHONG BIO provides custom synthesis services for TimTec1_005695 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.