4-(2-(2-Imino-4-oxothiazolidin-5-yl)acetamido)phenyl acetate
TL;DR: 4-(2-(2-Imino-4-oxothiazolidin-5-yl)acetamido)phenyl acetate (CAS 302552-81-4) is a chemical compound with molecular formula C13H13N3O4S and molecular weight 307.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[[2-(2-amino-4-oxo-1,3-thiazol-5-yl)acetyl]amino]phenyl] acetate
Also Known As: BIM-0030017.P001, 4-(2-(2-imino-4-oxothiazolidin-5-yl)acetamido)phenyl acetate, AB00685528-01, AE-641/12845326, [4-[[2-(2-amino-4-oxo-1,3-thiazol-5-yl)acetyl]amino]phenyl] acetate
| Molecular Formula | C13H13N3O4S |
|---|---|
| Molecular Weight | 307.06 g/mol |
| LogP | 0.8972 |
| Topological Polar Surface Area | 110.85 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 307.06268 |
| Heavy Atoms | 21 |
| Complexity | 612.3473 |
Chemical Identifiers
| CAS Number | 302552-81-4 |
|---|---|
| SMILES | CC(=O)OC1=CC=C(C=C1)NC(=O)CC2C(=O)N=C(S2)N |
Product Overview
4-(2-(2-Imino-4-oxothiazolidin-5-yl)acetamido)phenyl acetate (CAS 302552-81-4), with molecular formula C13H13N3O4S and molecular weight 307.06 g/mol. IUPAC: [4-[[2-(2-amino-4-oxo-1,3-thiazol-5-yl)acetyl]amino]phenyl] acetate.
Chemical Property Profile of 4-(2-(2-Imino-4-oxothiazolidin-5-yl)acetamido)phenyl acetate
Property Insights of 4-(2-(2-Imino-4-oxothiazolidin-5-yl)acetamido)phenyl acetate
The XLogP value of 0.8972 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-(2-Imino-4-oxothiazolidin-5-yl)acetamido)phenyl acetate. The TPSA of 110.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-(2-Imino-4-oxothiazolidin-5-yl)acetamido)phenyl acetate. Following Lipinski's Rule of Five, 4-(2-(2-Imino-4-oxothiazolidin-5-yl)acetamido)phenyl acetate has 2 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 4-(2-(2-Imino-4-oxothiazolidin-5-yl)acetamido)phenyl acetate?
The CAS number of 4-(2-(2-Imino-4-oxothiazolidin-5-yl)acetamido)phenyl acetate is 302552-81-4.
What is the molecular formula of 4-(2-(2-Imino-4-oxothiazolidin-5-yl)acetamido)phenyl acetate?
The molecular formula of 4-(2-(2-Imino-4-oxothiazolidin-5-yl)acetamido)phenyl acetate is C13H13N3O4S.
What is the molecular weight of 4-(2-(2-Imino-4-oxothiazolidin-5-yl)acetamido)phenyl acetate?
The molecular weight of 4-(2-(2-Imino-4-oxothiazolidin-5-yl)acetamido)phenyl acetate is 307.06 g/mol.
Where can I buy 4-(2-(2-Imino-4-oxothiazolidin-5-yl)acetamido)phenyl acetate?
You can request a quote for 4-(2-(2-Imino-4-oxothiazolidin-5-yl)acetamido)phenyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-(2-Imino-4-oxothiazolidin-5-yl)acetamido)phenyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-(2-Imino-4-oxothiazolidin-5-yl)acetamido)phenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.