TimTec1_000250
TL;DR: TimTec1_000250 (CAS 175716-58-2) is a chemical compound with molecular formula C13H18N4O and molecular weight 246.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-ethyl-12,12-dimethyl-11-oxa-4,5,7-triazatricyclo[7.4.0.02,6]trideca-1(9),2,5,7-tetraen-3-amine
Also Known As: TimTec1_000250, BRD-K94518165-001-01-2, 5-ethyl-8,8-dimethyl-3,6,8,9-tetrahydropyrano[4,3-d]pyrazolo[3,4-b]pyridin-1-amine, 5-ethyl-8,8-dimethyl-3,6,8,9-tetrahydropyrano-[4,3-d]pyrazolo[3,4-b]pyridin-1-amine, 5-ethyl-8,8-dimethyl-8,9-dihydro-6H-pyrano[4,3-d]pyrazolo[5,4-b]pyridinylamine
| Molecular Formula | C13H18N4O |
|---|---|
| Molecular Weight | 246.15 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 76.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 246.14806 |
| Heavy Atoms | 18 |
| Complexity | 322.0 |
Chemical Identifiers
| CAS Number | 175716-58-2 |
|---|---|
| SMILES | CCC1=NC2=NNC(=C2C3=C1COC(C3)(C)C)N |
| InChIKey | KFMVTUGWZKRKMJ-UHFFFAOYSA-N |
Product Overview
TimTec1_000250 (CAS 175716-58-2), with molecular formula C13H18N4O and molecular weight 246.15 g/mol. IUPAC: 8-ethyl-12,12-dimethyl-11-oxa-4,5,7-triazatricyclo[7.4.0.02,6]trideca-1(9),2,5,7-tetraen-3-amine.
Chemical Property Profile of TimTec1_000250
Property Insights of TimTec1_000250
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for TimTec1_000250. The TPSA of 76.8 Ų falls within the moderate polarity range, balancing permeability and solubility for TimTec1_000250. Following Lipinski's Rule of Five, TimTec1_000250 has 2 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 TimTec1_000250?
The CAS number of TimTec1_000250 is 175716-58-2.
What is the molecular formula of TimTec1_000250?
The molecular formula of TimTec1_000250 is C13H18N4O.
What is the molecular weight of TimTec1_000250?
The molecular weight of TimTec1_000250 is 246.15 g/mol.
Where can I buy TimTec1_000250?
You can request a quote for TimTec1_000250 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TimTec1_000250?
Yes, KEHONG BIO provides custom synthesis services for TimTec1_000250 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.