IFLab1_000091
TL;DR: IFLab1_000091 (CAS 850902-94-2) is a chemical compound with molecular formula C18H16BrN5OS and molecular weight 429.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-N-[5-[[4-(dimethylamino)phenyl]methylideneamino]-1,3,4-thiadiazol-2-yl]benzamide
Also Known As: IFLab1_000091, F0011-0941, 2-bromo-N-[5-[(4-dimethylaminophenyl)methylideneamino]-1,3,4-thiadiazol-2-yl]benzamide, N-{5-[(E)-[p-(dimethylamino)phenyl]methyleneamino]-1,3,4-thiadiazol-2-yl}o-bromobenzamide, 2-bromo-N-{5-[(E)-{[4-(dimethylamino)phenyl]methylidene}amino]-1,3,4-thiadiazol-2-yl}benzamide
| Molecular Formula | C18H16BrN5OS |
|---|---|
| Molecular Weight | 429.03 g/mol |
| LogP | 4.3695 |
| Topological Polar Surface Area | 70.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 429.02588 |
| Heavy Atoms | 26 |
| Complexity | 936.76434 |
Chemical Identifiers
| CAS Number | 850902-94-2 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)C=NC2=NN=C(S2)NC(=O)C3=CC=CC=C3Br |
Product Overview
IFLab1_000091 (CAS 850902-94-2), with molecular formula C18H16BrN5OS and molecular weight 429.03 g/mol. IUPAC: 2-bromo-N-[5-[[4-(dimethylamino)phenyl]methylideneamino]-1,3,4-thiadiazol-2-yl]benzamide.
Chemical Property Profile of IFLab1_000091
Property Insights of IFLab1_000091
The XLogP value of 4.3695 indicates that IFLab1_000091 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.48 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_000091. Following Lipinski's Rule of Five, IFLab1_000091 has 1 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_000091?
The CAS number of IFLab1_000091 is 850902-94-2.
What is the molecular formula of IFLab1_000091?
The molecular formula of IFLab1_000091 is C18H16BrN5OS.
What is the molecular weight of IFLab1_000091?
The molecular weight of IFLab1_000091 is 429.03 g/mol.
Where can I buy IFLab1_000091?
You can request a quote for IFLab1_000091 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_000091?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_000091 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.