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Methyl 3-formylpyrrolo[2,1-b][1,3]benzothiazole-1-carboxylate
TL;DR: Methyl 3-formylpyrrolo[2,1-b][1,3]benzothiazole-1-carboxylate (CAS 136427-69-5) is a chemical compound with molecular formula C13H9NO3S and molecular weight 259.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-formylpyrrolo[2,1-b][1,3]benzothiazole-1-carboxylate
Also Known As: methyl 3-formylpyrrolo[2,1-b][1,3]benzothiazole-1-carboxylate, CHEMBRDG-BB 6369811, Methyl 3-formylbenzo[d]pyrrolo[2,1-b]thiazole-1-carboxylate, Butanedioic acid,ethyloxo-,di-2-propenyl ester, W-9581
| Molecular Formula | C13H9NO3S |
|---|---|
| Molecular Weight | 259.03 g/mol |
| LogP | 2.7531 |
| Topological Polar Surface Area | 47.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 259.0303 |
| Heavy Atoms | 18 |
| Complexity | 769.0755 |
Chemical Identifiers
| CAS Number | 136427-69-5 |
|---|---|
| SMILES | COC(=O)C1=CC(=C2N1C3=CC=CC=C3S2)C=O |
Product Overview
Methyl 3-formylpyrrolo[2,1-b][1,3]benzothiazole-1-carboxylate (CAS 136427-69-5), with molecular formula C13H9NO3S and molecular weight 259.03 g/mol. IUPAC: methyl 3-formylpyrrolo[2,1-b][1,3]benzothiazole-1-carboxylate.
Chemical Property Profile of Methyl 3-formylpyrrolo[2,1-b][1,3]benzothiazole-1-carboxylate
Property Insights of Methyl 3-formylpyrrolo[2,1-b][1,3]benzothiazole-1-carboxylate
The XLogP value of 2.7531 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-formylpyrrolo[2,1-b][1,3]benzothiazole-1-carboxylate. With a topological polar surface area (TPSA) of 47.78 Ų, Methyl 3-formylpyrrolo[2,1-b][1,3]benzothiazole-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-formylpyrrolo[2,1-b][1,3]benzothiazole-1-carboxylate has 0 hydrogen bond donor(s) and 4 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 3-formylpyrrolo[2,1-b][1,3]benzothiazole-1-carboxylate?
The CAS number of Methyl 3-formylpyrrolo[2,1-b][1,3]benzothiazole-1-carboxylate is 136427-69-5.
What is the molecular formula of Methyl 3-formylpyrrolo[2,1-b][1,3]benzothiazole-1-carboxylate?
The molecular formula of Methyl 3-formylpyrrolo[2,1-b][1,3]benzothiazole-1-carboxylate is C13H9NO3S.
What is the molecular weight of Methyl 3-formylpyrrolo[2,1-b][1,3]benzothiazole-1-carboxylate?
The molecular weight of Methyl 3-formylpyrrolo[2,1-b][1,3]benzothiazole-1-carboxylate is 259.03 g/mol.
Where can I buy Methyl 3-formylpyrrolo[2,1-b][1,3]benzothiazole-1-carboxylate?
You can request a quote for Methyl 3-formylpyrrolo[2,1-b][1,3]benzothiazole-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-formylpyrrolo[2,1-b][1,3]benzothiazole-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-formylpyrrolo[2,1-b][1,3]benzothiazole-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.