![(E)-4-(3-((5-benzyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridin-2-yl)amino)-2-cyano-3-oxoprop-1-en-1-yl)phenyl 4-methylbenzoate structure](/static/products/327/327063-35-4.png)
(E)-4-(3-((5-benzyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridin-2-yl)amino)-2-cyano-3-oxoprop-1-en-1-yl)phenyl 4-methylbenzoate
TL;DR: (E)-4-(3-((5-benzyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridin-2-yl)amino)-2-cyano-3-oxoprop-1-en-1-yl)phenyl 4-methylbenzoate (CAS 327063-35-4) is a chemical compound with molecular formula C31H26N4O3S and molecular weight 534.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(E)-3-[(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-2-cyano-3-oxoprop-1-enyl]phenyl] 4-methylbenzoate
Also Known As: (E)-4-(3-((5-benzyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridin-2-yl)amino)-2-cyano-3-oxoprop-1-en-1-yl)phenyl 4-methylbenzoate, [4-[(E)-3-[(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-2-cyano-3-oxoprop-1-enyl]phenyl] 4-methylbenzoate, 4-{(1E)-3-[(5-benzyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-2-cyano-3-oxoprop-1-en-1-yl}phenyl 4-methylbenzoate
| Molecular Formula | C31H26N4O3S |
|---|---|
| Molecular Weight | 534.17 g/mol |
| LogP | 5.7747 |
| Topological Polar Surface Area | 95.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 534.17255 |
| Heavy Atoms | 39 |
| Complexity | 1552.3794 |
Chemical Identifiers
| CAS Number | 327063-35-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)/C=C(\C#N)/C(=O)NC3=NC4=C(S3)CN(CC4)CC5=CC=CC=C5 |
Product Overview
(E)-4-(3-((5-benzyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridin-2-yl)amino)-2-cyano-3-oxoprop-1-en-1-yl)phenyl 4-methylbenzoate (CAS 327063-35-4), with molecular formula C31H26N4O3S and molecular weight 534.17 g/mol. IUPAC: [4-[(E)-3-[(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-2-cyano-3-oxoprop-1-enyl]phenyl] 4-methylbenzoate.
Chemical Property Profile of (E)-4-(3-((5-benzyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridin-2-yl)amino)-2-cyano-3-oxoprop-1-en-1-yl)phenyl 4-methylbenzoate
Property Insights of (E)-4-(3-((5-benzyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridin-2-yl)amino)-2-cyano-3-oxoprop-1-en-1-yl)phenyl 4-methylbenzoate
The XLogP value of 5.7747 indicates that (E)-4-(3-((5-benzyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridin-2-yl)amino)-2-cyano-3-oxoprop-1-en-1-yl)phenyl 4-methylbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.32 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-4-(3-((5-benzyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridin-2-yl)amino)-2-cyano-3-oxoprop-1-en-1-yl)phenyl 4-methylbenzoate. Following Lipinski's Rule of Five, (E)-4-(3-((5-benzyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridin-2-yl)amino)-2-cyano-3-oxoprop-1-en-1-yl)phenyl 4-methylbenzoate has 1 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 (E)-4-(3-((5-benzyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridin-2-yl)amino)-2-cyano-3-oxoprop-1-en-1-yl)phenyl 4-methylbenzoate?
The CAS number of (E)-4-(3-((5-benzyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridin-2-yl)amino)-2-cyano-3-oxoprop-1-en-1-yl)phenyl 4-methylbenzoate is 327063-35-4.
What is the molecular formula of (E)-4-(3-((5-benzyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridin-2-yl)amino)-2-cyano-3-oxoprop-1-en-1-yl)phenyl 4-methylbenzoate?
The molecular formula of (E)-4-(3-((5-benzyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridin-2-yl)amino)-2-cyano-3-oxoprop-1-en-1-yl)phenyl 4-methylbenzoate is C31H26N4O3S.
What is the molecular weight of (E)-4-(3-((5-benzyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridin-2-yl)amino)-2-cyano-3-oxoprop-1-en-1-yl)phenyl 4-methylbenzoate?
The molecular weight of (E)-4-(3-((5-benzyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridin-2-yl)amino)-2-cyano-3-oxoprop-1-en-1-yl)phenyl 4-methylbenzoate is 534.17 g/mol.
Where can I buy (E)-4-(3-((5-benzyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridin-2-yl)amino)-2-cyano-3-oxoprop-1-en-1-yl)phenyl 4-methylbenzoate?
You can request a quote for (E)-4-(3-((5-benzyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridin-2-yl)amino)-2-cyano-3-oxoprop-1-en-1-yl)phenyl 4-methylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-4-(3-((5-benzyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridin-2-yl)amino)-2-cyano-3-oxoprop-1-en-1-yl)phenyl 4-methylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-(3-((5-benzyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridin-2-yl)amino)-2-cyano-3-oxoprop-1-en-1-yl)phenyl 4-methylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.