TimTec1_000342
TL;DR: TimTec1_000342 (CAS 329213-63-0) is a chemical compound with molecular formula C16H15N3O and molecular weight 265.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-methyl-10-phenyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-2-one
Also Known As: TimTec1_000342, 2-methyl-3-phenyl-4,5,6,7-tetrahydro-8H-cyclopenta[d]pyrazolo[1,5-a]pyrimidin-8-one, BAS 00523575, 2-methyl-3-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrazolo[1,5-a]pyrimidin-8-ol, 2-Methyl-3-phenyl-6,7-dihydro-5H-1,4,8a-triaza-s-indacen-8-ol
| Molecular Formula | C16H15N3O |
|---|---|
| Molecular Weight | 265.12 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 44.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 265.12152 |
| Heavy Atoms | 20 |
| Complexity | 564.0 |
Chemical Identifiers
| CAS Number | 329213-63-0 |
|---|---|
| SMILES | CC1=C(C2=NC3=C(CCC3)C(=O)N2N1)C4=CC=CC=C4 |
| InChIKey | QOOXAFHBVWFPGJ-UHFFFAOYSA-N |
Product Overview
TimTec1_000342 (CAS 329213-63-0), with molecular formula C16H15N3O and molecular weight 265.12 g/mol. IUPAC: 11-methyl-10-phenyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-2-one.
Chemical Property Profile of TimTec1_000342
Property Insights of TimTec1_000342
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for TimTec1_000342. With a topological polar surface area (TPSA) of 44.7 Ų, TimTec1_000342 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, TimTec1_000342 has 1 hydrogen bond donor(s) and 3 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_000342?
The CAS number of TimTec1_000342 is 329213-63-0.
What is the molecular formula of TimTec1_000342?
The molecular formula of TimTec1_000342 is C16H15N3O.
What is the molecular weight of TimTec1_000342?
The molecular weight of TimTec1_000342 is 265.12 g/mol.
Where can I buy TimTec1_000342?
You can request a quote for TimTec1_000342 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TimTec1_000342?
Yes, KEHONG BIO provides custom synthesis services for TimTec1_000342 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.