![methyl 2-[(4,6-difluoro-1,3-benzothiazol-2-yl)amino]-1,3-benzothiazole-6-carboxylate structure](/static/products/862/862976-54-3.png)
methyl 2-[(4,6-difluoro-1,3-benzothiazol-2-yl)amino]-1,3-benzothiazole-6-carboxylate
TL;DR: methyl 2-[(4,6-difluoro-1,3-benzothiazol-2-yl)amino]-1,3-benzothiazole-6-carboxylate (CAS 862976-54-3) is a chemical compound with molecular formula C16H9F2N3O2S2 and molecular weight 377.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(4,6-difluoro-1,3-benzothiazol-2-yl)amino]-1,3-benzothiazole-6-carboxylate
Also Known As: methyl 2-[(4,6-difluoro-1,3-benzothiazol-2-yl)amino]-1,3-benzothiazole-6-carboxylate, methyl 2-((4,6-difluorobenzo[d]thiazol-2-yl)amino)benzo[d]thiazole-6-carboxylate, methyl 2-(4,6-difluoro-1,3-benzothiazol-2-ylamino)-1,3-benzothiazole-6-carboxylate, 2-[(4,6-difluoro-1,3-benzothiazol-2-yl)amino]-1,3-benzothiazole-6-carboxylic acid methyl ester, methyl 2-[[4,6-bis(fluoranyl)-1,3-benzothiazol-2-yl]amino]-1,3-benzothiazole-6-carboxylate
| Molecular Formula | C16H9F2N3O2S2 |
|---|---|
| Molecular Weight | 377.01 g/mol |
| LogP | 4.7144 |
| Topological Polar Surface Area | 64.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 377.01044 |
| Heavy Atoms | 25 |
| Complexity | 1123.4198 |
Chemical Identifiers
| CAS Number | 862976-54-3 |
|---|---|
| SMILES | COC(=O)C1=CC2=C(C=C1)N=C(S2)NC3=NC4=C(C=C(C=C4S3)F)F |
Product Overview
methyl 2-[(4,6-difluoro-1,3-benzothiazol-2-yl)amino]-1,3-benzothiazole-6-carboxylate (CAS 862976-54-3), with molecular formula C16H9F2N3O2S2 and molecular weight 377.01 g/mol. IUPAC: methyl 2-[(4,6-difluoro-1,3-benzothiazol-2-yl)amino]-1,3-benzothiazole-6-carboxylate.
Chemical Property Profile of methyl 2-[(4,6-difluoro-1,3-benzothiazol-2-yl)amino]-1,3-benzothiazole-6-carboxylate
Property Insights of methyl 2-[(4,6-difluoro-1,3-benzothiazol-2-yl)amino]-1,3-benzothiazole-6-carboxylate
The XLogP value of 4.7144 indicates that methyl 2-[(4,6-difluoro-1,3-benzothiazol-2-yl)amino]-1,3-benzothiazole-6-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.11 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-[(4,6-difluoro-1,3-benzothiazol-2-yl)amino]-1,3-benzothiazole-6-carboxylate. Following Lipinski's Rule of Five, methyl 2-[(4,6-difluoro-1,3-benzothiazol-2-yl)amino]-1,3-benzothiazole-6-carboxylate has 1 hydrogen bond donor(s) and 7 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 2-[(4,6-difluoro-1,3-benzothiazol-2-yl)amino]-1,3-benzothiazole-6-carboxylate?
The CAS number of methyl 2-[(4,6-difluoro-1,3-benzothiazol-2-yl)amino]-1,3-benzothiazole-6-carboxylate is 862976-54-3.
What is the molecular formula of methyl 2-[(4,6-difluoro-1,3-benzothiazol-2-yl)amino]-1,3-benzothiazole-6-carboxylate?
The molecular formula of methyl 2-[(4,6-difluoro-1,3-benzothiazol-2-yl)amino]-1,3-benzothiazole-6-carboxylate is C16H9F2N3O2S2.
What is the molecular weight of methyl 2-[(4,6-difluoro-1,3-benzothiazol-2-yl)amino]-1,3-benzothiazole-6-carboxylate?
The molecular weight of methyl 2-[(4,6-difluoro-1,3-benzothiazol-2-yl)amino]-1,3-benzothiazole-6-carboxylate is 377.01 g/mol.
Where can I buy methyl 2-[(4,6-difluoro-1,3-benzothiazol-2-yl)amino]-1,3-benzothiazole-6-carboxylate?
You can request a quote for methyl 2-[(4,6-difluoro-1,3-benzothiazol-2-yl)amino]-1,3-benzothiazole-6-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-[(4,6-difluoro-1,3-benzothiazol-2-yl)amino]-1,3-benzothiazole-6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-[(4,6-difluoro-1,3-benzothiazol-2-yl)amino]-1,3-benzothiazole-6-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.