TimTec1_003802
TL;DR: TimTec1_003802 (CAS 442659-69-0) is a chemical compound with molecular formula C24H25N5O2S2 and molecular weight 479.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-cyano-4-methyl-2-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-N-phenyl-3-azaspiro[5.5]undeca-1,4-diene-5-carboxamide
Also Known As: TimTec1_003802, F1159-0086, A2802/0118430, BRD-K23865270-001-01-5, 5-cyano-2-methyl-4-((2-oxo-2-(thiazol-2-ylamino)ethyl)thio)-N-phenyl-3-azaspiro[5.5]undeca-1,4-diene-1-carboxamide
| Molecular Formula | C24H25N5O2S2 |
|---|---|
| Molecular Weight | 479.14 g/mol |
| LogP | 5.01638 |
| Topological Polar Surface Area | 106.91 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 479.14496 |
| Heavy Atoms | 33 |
| Complexity | 1127.3594 |
Chemical Identifiers
| CAS Number | 442659-69-0 |
|---|---|
| SMILES | CC1=C(C2(CCCCC2)C(=C(N1)SCC(=O)NC3=NC=CS3)C#N)C(=O)NC4=CC=CC=C4 |
Product Overview
TimTec1_003802 (CAS 442659-69-0), with molecular formula C24H25N5O2S2 and molecular weight 479.14 g/mol. IUPAC: 1-cyano-4-methyl-2-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-N-phenyl-3-azaspiro[5.5]undeca-1,4-diene-5-carboxamide.
Chemical Property Profile of TimTec1_003802
Property Insights of TimTec1_003802
The XLogP value of 5.01638 indicates that TimTec1_003802 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.91 Ų falls within the moderate polarity range, balancing permeability and solubility for TimTec1_003802. Following Lipinski's Rule of Five, TimTec1_003802 has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of TimTec1_003802?
The CAS number of TimTec1_003802 is 442659-69-0.
What is the molecular formula of TimTec1_003802?
The molecular formula of TimTec1_003802 is C24H25N5O2S2.
What is the molecular weight of TimTec1_003802?
The molecular weight of TimTec1_003802 is 479.14 g/mol.
Where can I buy TimTec1_003802?
You can request a quote for TimTec1_003802 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TimTec1_003802?
Yes, KEHONG BIO provides custom synthesis services for TimTec1_003802 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.