TimTec1_002272
TL;DR: TimTec1_002272 (CAS 402954-53-4) is a chemical compound with molecular formula C20H23N5O2S and molecular weight 397.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-2-(2-anilino-2-oxoethyl)sulfanyl-5-cyano-3-azaspiro[5.5]undeca-2,4-diene-1-carboxamide
Also Known As: TimTec1_002272, F0894-0355, A2722/0115644, BRD-A88970855-001-01-0, 4-AMINO-5-CYANO-2-{[(PHENYLCARBAMOYL)METHYL]SULFANYL}-3-AZASPIRO[5.5]UNDECA-2,4-DIENE-1-CARBOXAMIDE
| Molecular Formula | C20H23N5O2S |
|---|---|
| Molecular Weight | 397.16 g/mol |
| LogP | 2.51628 |
| Topological Polar Surface Area | 134.36 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 397.15726 |
| Heavy Atoms | 28 |
| Complexity | 866.3323 |
Chemical Identifiers
| CAS Number | 402954-53-4 |
|---|---|
| SMILES | C1CCC2(CC1)C(C(=NC(=C2C#N)N)SCC(=O)NC3=CC=CC=C3)C(=O)N |
Product Overview
TimTec1_002272 (CAS 402954-53-4), with molecular formula C20H23N5O2S and molecular weight 397.16 g/mol. IUPAC: 4-amino-2-(2-anilino-2-oxoethyl)sulfanyl-5-cyano-3-azaspiro[5.5]undeca-2,4-diene-1-carboxamide.
Chemical Property Profile of TimTec1_002272
Property Insights of TimTec1_002272
The XLogP value of 2.51628 suggests moderate lipophilicity, balancing water solubility and membrane permeability for TimTec1_002272. The TPSA of 134.36 Ų falls within the moderate polarity range, balancing permeability and solubility for TimTec1_002272. Following Lipinski's Rule of Five, TimTec1_002272 has 3 hydrogen bond donor(s) and 6 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_002272?
The CAS number of TimTec1_002272 is 402954-53-4.
What is the molecular formula of TimTec1_002272?
The molecular formula of TimTec1_002272 is C20H23N5O2S.
What is the molecular weight of TimTec1_002272?
The molecular weight of TimTec1_002272 is 397.16 g/mol.
Where can I buy TimTec1_002272?
You can request a quote for TimTec1_002272 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TimTec1_002272?
Yes, KEHONG BIO provides custom synthesis services for TimTec1_002272 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.