TimTec1_003245
TL;DR: TimTec1_003245 (CAS 361365-67-5) is a chemical compound with molecular formula C20H16F6N4S and molecular weight 458.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4,4-bis(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
Also Known As: TimTec1_003245, A2308/0097330, BRD-K54238540-001-01-1, 2-amino-1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4,4-bis(trifluoromethyl)-4,5,6,7-tetrahydro-1H-cyclopenta[b]pyridine-3-carbonitrile, 2-[2-amino-4,4-bis(trifluoromethyl)-3-cyano-1,4,5,6,7-pentahydrocyclopenta[1,2 -b]pyridinyl]-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile
| Molecular Formula | C20H16F6N4S |
|---|---|
| Molecular Weight | 458.10 g/mol |
| LogP | 5.56146 |
| Topological Polar Surface Area | 76.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 458.09998 |
| Heavy Atoms | 31 |
| Complexity | 1079.1085 |
Chemical Identifiers
| CAS Number | 361365-67-5 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)N3C4=C(CCC4)C(C(=C3N)C#N)(C(F)(F)F)C(F)(F)F)C#N |
Product Overview
TimTec1_003245 (CAS 361365-67-5), with molecular formula C20H16F6N4S and molecular weight 458.10 g/mol. IUPAC: 2-amino-1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4,4-bis(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.
Chemical Property Profile of TimTec1_003245
Property Insights of TimTec1_003245
The XLogP value of 5.56146 indicates that TimTec1_003245 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.84 Ų falls within the moderate polarity range, balancing permeability and solubility for TimTec1_003245. Following Lipinski's Rule of Five, TimTec1_003245 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of TimTec1_003245?
The CAS number of TimTec1_003245 is 361365-67-5.
What is the molecular formula of TimTec1_003245?
The molecular formula of TimTec1_003245 is C20H16F6N4S.
What is the molecular weight of TimTec1_003245?
The molecular weight of TimTec1_003245 is 458.10 g/mol.
Where can I buy TimTec1_003245?
You can request a quote for TimTec1_003245 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TimTec1_003245?
Yes, KEHONG BIO provides custom synthesis services for TimTec1_003245 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.