Methyl 4-(2-(2-imino-4-oxothiazolidin-5-yl)acetamido)benzoate
TL;DR: Methyl 4-(2-(2-imino-4-oxothiazolidin-5-yl)acetamido)benzoate (CAS 304896-97-7) 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.
methyl 4-[[2-(2-amino-4-oxo-1,3-thiazol-5-yl)acetyl]amino]benzoate
Also Known As: methyl 4-(2-(2-imino-4-oxothiazolidin-5-yl)acetamido)benzoate, AB00684116-01, F0272-0005, methyl 4-[[2-(2-amino-4-oxo-1,3-thiazol-5-yl)acetyl]amino]benzoate, methyl 4-[2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetylamino]benzoate
| Molecular Formula | C13H13N3O4S |
|---|---|
| Molecular Weight | 307.06 g/mol |
| LogP | 0.7585 |
| 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 | 304896-97-7 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC(=O)CC2C(=O)N=C(S2)N |
Product Overview
Methyl 4-(2-(2-imino-4-oxothiazolidin-5-yl)acetamido)benzoate (CAS 304896-97-7), with molecular formula C13H13N3O4S and molecular weight 307.06 g/mol. IUPAC: methyl 4-[[2-(2-amino-4-oxo-1,3-thiazol-5-yl)acetyl]amino]benzoate.
Chemical Property Profile of Methyl 4-(2-(2-imino-4-oxothiazolidin-5-yl)acetamido)benzoate
Property Insights of Methyl 4-(2-(2-imino-4-oxothiazolidin-5-yl)acetamido)benzoate
The XLogP value of 0.7585 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-(2-(2-imino-4-oxothiazolidin-5-yl)acetamido)benzoate. The TPSA of 110.85 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-(2-(2-imino-4-oxothiazolidin-5-yl)acetamido)benzoate. Following Lipinski's Rule of Five, Methyl 4-(2-(2-imino-4-oxothiazolidin-5-yl)acetamido)benzoate 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 Methyl 4-(2-(2-imino-4-oxothiazolidin-5-yl)acetamido)benzoate?
The CAS number of Methyl 4-(2-(2-imino-4-oxothiazolidin-5-yl)acetamido)benzoate is 304896-97-7.
What is the molecular formula of Methyl 4-(2-(2-imino-4-oxothiazolidin-5-yl)acetamido)benzoate?
The molecular formula of Methyl 4-(2-(2-imino-4-oxothiazolidin-5-yl)acetamido)benzoate is C13H13N3O4S.
What is the molecular weight of Methyl 4-(2-(2-imino-4-oxothiazolidin-5-yl)acetamido)benzoate?
The molecular weight of Methyl 4-(2-(2-imino-4-oxothiazolidin-5-yl)acetamido)benzoate is 307.06 g/mol.
Where can I buy Methyl 4-(2-(2-imino-4-oxothiazolidin-5-yl)acetamido)benzoate?
You can request a quote for Methyl 4-(2-(2-imino-4-oxothiazolidin-5-yl)acetamido)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-(2-(2-imino-4-oxothiazolidin-5-yl)acetamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(2-(2-imino-4-oxothiazolidin-5-yl)acetamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.