![Methyl 4-((6-aminobenzo[d]thiazol-2-yl)carbamoyl)benzoate structure](/static/products/3135/313504-97-1.webp)
Methyl 4-((6-aminobenzo[d]thiazol-2-yl)carbamoyl)benzoate
TL;DR: Methyl 4-((6-aminobenzo[d]thiazol-2-yl)carbamoyl)benzoate (CAS 313504-97-1) is a chemical compound with molecular formula C16H13N3O3S and molecular weight 327.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(6-amino-1,3-benzothiazol-2-yl)carbamoyl]benzoate
Also Known As: BAS 00255230, methyl 4-((6-aminobenzo[d]thiazol-2-yl)carbamoyl)benzoate, N-(6-Amino-benzothiazol-2-yl)-terephthalamic acid methyl ester, Methyl 4-[[6-aminobenzo[d]thiazol-2-yl]carbamoyl]benzoate, methyl4-((6-aminobenzo[d]thiazol-2-yl)carbamoyl)benzoate
| Molecular Formula | C16H13N3O3S |
|---|---|
| Molecular Weight | 327.07 g/mol |
| LogP | 2.9174 |
| Topological Polar Surface Area | 94.31 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 327.06775 |
| Heavy Atoms | 23 |
| Complexity | 887.2268 |
Chemical Identifiers
| CAS Number | 313504-97-1 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)N |
Product Overview
Methyl 4-((6-aminobenzo[d]thiazol-2-yl)carbamoyl)benzoate (CAS 313504-97-1), with molecular formula C16H13N3O3S and molecular weight 327.07 g/mol. IUPAC: methyl 4-[(6-amino-1,3-benzothiazol-2-yl)carbamoyl]benzoate.
Chemical Property Profile of Methyl 4-((6-aminobenzo[d]thiazol-2-yl)carbamoyl)benzoate
Property Insights of Methyl 4-((6-aminobenzo[d]thiazol-2-yl)carbamoyl)benzoate
The XLogP value of 2.9174 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-((6-aminobenzo[d]thiazol-2-yl)carbamoyl)benzoate. The TPSA of 94.31 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-((6-aminobenzo[d]thiazol-2-yl)carbamoyl)benzoate. Following Lipinski's Rule of Five, Methyl 4-((6-aminobenzo[d]thiazol-2-yl)carbamoyl)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-((6-aminobenzo[d]thiazol-2-yl)carbamoyl)benzoate?
The CAS number of Methyl 4-((6-aminobenzo[d]thiazol-2-yl)carbamoyl)benzoate is 313504-97-1.
What is the molecular formula of Methyl 4-((6-aminobenzo[d]thiazol-2-yl)carbamoyl)benzoate?
The molecular formula of Methyl 4-((6-aminobenzo[d]thiazol-2-yl)carbamoyl)benzoate is C16H13N3O3S.
What is the molecular weight of Methyl 4-((6-aminobenzo[d]thiazol-2-yl)carbamoyl)benzoate?
The molecular weight of Methyl 4-((6-aminobenzo[d]thiazol-2-yl)carbamoyl)benzoate is 327.07 g/mol.
Where can I buy Methyl 4-((6-aminobenzo[d]thiazol-2-yl)carbamoyl)benzoate?
You can request a quote for Methyl 4-((6-aminobenzo[d]thiazol-2-yl)carbamoyl)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-((6-aminobenzo[d]thiazol-2-yl)carbamoyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-((6-aminobenzo[d]thiazol-2-yl)carbamoyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.