IFLab1_005449
TL;DR: IFLab1_005449 (CAS 865197-91-7) is a chemical compound with molecular formula C17H13BrN2O3S2 and molecular weight 435.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[6-bromo-2-[(E)-3-thiophen-2-ylprop-2-enoyl]imino-1,3-benzothiazol-3-yl]acetate
Also Known As: IFLab1_005449, IDI1_010852, methyl 2-((Z)-6-bromo-2-(((E)-3-(thiophen-2-yl)acryloyl)imino)benzo[d]thiazol-3(2H)-yl)acetate, F1366-0721, methyl 2-[6-bromo-2-[(E)-3-thiophen-2-ylprop-2-enoyl]imino-1,3-benzothiazol-3-yl]acetate
| Molecular Formula | C17H13BrN2O3S2 |
|---|---|
| Molecular Weight | 435.96 g/mol |
| LogP | 3.8405 |
| Topological Polar Surface Area | 60.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 435.9551 |
| Heavy Atoms | 25 |
| Complexity | 1016.3691 |
Chemical Identifiers
| CAS Number | 865197-91-7 |
|---|---|
| SMILES | COC(=O)CN1C2=C(C=C(C=C2)Br)SC1=NC(=O)/C=C/C3=CC=CS3 |
Product Overview
IFLab1_005449 (CAS 865197-91-7), with molecular formula C17H13BrN2O3S2 and molecular weight 435.96 g/mol. IUPAC: methyl 2-[6-bromo-2-[(E)-3-thiophen-2-ylprop-2-enoyl]imino-1,3-benzothiazol-3-yl]acetate.
Chemical Property Profile of IFLab1_005449
Property Insights of IFLab1_005449
The XLogP value of 3.8405 indicates that IFLab1_005449 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.66 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_005449. Following Lipinski's Rule of Five, IFLab1_005449 has 0 hydrogen bond donor(s) and 5 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_005449?
The CAS number of IFLab1_005449 is 865197-91-7.
What is the molecular formula of IFLab1_005449?
The molecular formula of IFLab1_005449 is C17H13BrN2O3S2.
What is the molecular weight of IFLab1_005449?
The molecular weight of IFLab1_005449 is 435.96 g/mol.
Where can I buy IFLab1_005449?
You can request a quote for IFLab1_005449 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_005449?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_005449 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.