TimTec1_001083
TL;DR: TimTec1_001083 (CAS 134952-53-7) is a chemical compound with molecular formula C20H18N4 and molecular weight 314.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12-phenyl-13,14,16,18-tetrazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2,4,6,14,16-hexaene
Also Known As: TimTec1_001083, BRD-A14275336-001-01-2, 8-phenyl-6,7,8,13-tetrahydro-5H-benzo[6,7]cyclohepta[1,2-d][1,2,4]triazolo[1,5-a]pyrimidine, 8-phenyl-5,6,7,8,9,13-hexahydrobenzo[c]1,2,4-triazolo[1',5'-1,2]pyrimidino[5,4 -a][7]annulene
| Molecular Formula | C20H18N4 |
|---|---|
| Molecular Weight | 314.15 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 42.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 314.15314 |
| Heavy Atoms | 24 |
| Complexity | 496.0 |
Chemical Identifiers
| CAS Number | 134952-53-7 |
|---|---|
| SMILES | C1CC2=CC=CC=C2C3=C(C1)C(N4C(=NC=N4)N3)C5=CC=CC=C5 |
| InChIKey | CVDIZNCRWXCQSX-UHFFFAOYSA-N |
Product Overview
TimTec1_001083 (CAS 134952-53-7), with molecular formula C20H18N4 and molecular weight 314.15 g/mol. IUPAC: 12-phenyl-13,14,16,18-tetrazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2,4,6,14,16-hexaene.
Chemical Property Profile of TimTec1_001083
Property Insights of TimTec1_001083
The XLogP value of 4.1 indicates that TimTec1_001083 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.7 Ų, TimTec1_001083 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, TimTec1_001083 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_001083?
The CAS number of TimTec1_001083 is 134952-53-7.
What is the molecular formula of TimTec1_001083?
The molecular formula of TimTec1_001083 is C20H18N4.
What is the molecular weight of TimTec1_001083?
The molecular weight of TimTec1_001083 is 314.15 g/mol.
Where can I buy TimTec1_001083?
You can request a quote for TimTec1_001083 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TimTec1_001083?
Yes, KEHONG BIO provides custom synthesis services for TimTec1_001083 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.