IFLab1_005397
TL;DR: IFLab1_005397 (CAS 864975-22-4) is a chemical compound with molecular formula C17H16N2O4S2 and molecular weight 376.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(2-methoxyethyl)-2-(thiophene-2-carbonylimino)-1,3-benzothiazole-6-carboxylate
Also Known As: IFLab1_005397, IDI1_010800, F1359-0287, methyl 3-(2-methoxyethyl)-2-(thiophene-2-carbonylimino)-1,3-benzothiazole-6-carboxylate, (Z)-methyl 3-(2-methoxyethyl)-2-((thiophene-2-carbonyl)imino)-2,3-dihydrobenzo[d]thiazole-6-carboxylate
| Molecular Formula | C17H16N2O4S2 |
|---|---|
| Molecular Weight | 376.06 g/mol |
| LogP | 2.9384 |
| Topological Polar Surface Area | 69.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 376.05515 |
| Heavy Atoms | 25 |
| Complexity | 970.3627 |
Chemical Identifiers
| CAS Number | 864975-22-4 |
|---|---|
| SMILES | COCCN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)C3=CC=CS3 |
Product Overview
IFLab1_005397 (CAS 864975-22-4), with molecular formula C17H16N2O4S2 and molecular weight 376.06 g/mol. IUPAC: methyl 3-(2-methoxyethyl)-2-(thiophene-2-carbonylimino)-1,3-benzothiazole-6-carboxylate.
Chemical Property Profile of IFLab1_005397
Property Insights of IFLab1_005397
The XLogP value of 2.9384 suggests moderate lipophilicity, balancing water solubility and membrane permeability for IFLab1_005397. The TPSA of 69.89 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_005397. Following Lipinski's Rule of Five, IFLab1_005397 has 0 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 IFLab1_005397?
The CAS number of IFLab1_005397 is 864975-22-4.
What is the molecular formula of IFLab1_005397?
The molecular formula of IFLab1_005397 is C17H16N2O4S2.
What is the molecular weight of IFLab1_005397?
The molecular weight of IFLab1_005397 is 376.06 g/mol.
Where can I buy IFLab1_005397?
You can request a quote for IFLab1_005397 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_005397?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_005397 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.