BIM-0013517.P001
TL;DR: BIM-0013517.P001 (CAS 424802-68-6) is a chemical compound with molecular formula C19H18N4O2S and molecular weight 366.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenyl-3-[5-[(2-prop-2-enylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]urea
Also Known As: BIM-0013517.P001, 1-(5-((2-allylphenoxy)methyl)-1,3,4-thiadiazol-2-yl)-3-phenylurea, 1-phenyl-3-[5-[(2-prop-2-enylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]urea, N-{5-[(2-allylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}-N'-phenylurea, 1-phenyl-3-[(2Z)-5-{[2-(prop-2-en-1-yl)phenoxy]methyl}-1,3,4-thiadiazol-2(3H)-ylidene]urea
| Molecular Formula | C19H18N4O2S |
|---|---|
| Molecular Weight | 366.12 g/mol |
| LogP | 4.4896 |
| Topological Polar Surface Area | 76.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 366.11505 |
| Heavy Atoms | 26 |
| Complexity | 880.0103 |
Chemical Identifiers
| CAS Number | 424802-68-6 |
|---|---|
| SMILES | C=CCC1=CC=CC=C1OCC2=NN=C(S2)NC(=O)NC3=CC=CC=C3 |
Product Overview
BIM-0013517.P001 (CAS 424802-68-6), with molecular formula C19H18N4O2S and molecular weight 366.12 g/mol. IUPAC: 1-phenyl-3-[5-[(2-prop-2-enylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]urea.
Chemical Property Profile of BIM-0013517.P001
Property Insights of BIM-0013517.P001
The XLogP value of 4.4896 indicates that BIM-0013517.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.14 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0013517.P001. Following Lipinski's Rule of Five, BIM-0013517.P001 has 2 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 BIM-0013517.P001?
The CAS number of BIM-0013517.P001 is 424802-68-6.
What is the molecular formula of BIM-0013517.P001?
The molecular formula of BIM-0013517.P001 is C19H18N4O2S.
What is the molecular weight of BIM-0013517.P001?
The molecular weight of BIM-0013517.P001 is 366.12 g/mol.
Where can I buy BIM-0013517.P001?
You can request a quote for BIM-0013517.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0013517.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0013517.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.