F0544-0057
TL;DR: F0544-0057 (CAS 681271-85-2) is a chemical compound with molecular formula C25H24BrN5O4S2 and molecular weight 601.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[5-(4-bromophenyl)-3-(2,3-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-6,7-dihydro-5H-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-8-one
Also Known As: F0544-0057, 2-((2-(3-(4-bromophenyl)-5-(2,3-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)-2-oxoethyl)thio)-6,7-dihydro-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-8(5H)-one, 2-({2-[3-(4-bromophenyl)-5-(2,3-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)-5H,6H,7H,8H-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-8-one, 2-[2-[5-(4-bromophenyl)-3-(2,3-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-6,7-dihydro-5H-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-8-one
| Molecular Formula | C25H24BrN5O4S2 |
|---|---|
| Molecular Weight | 601.05 g/mol |
| LogP | 4.8734 |
| Topological Polar Surface Area | 96.16 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 601.0453 |
| Heavy Atoms | 37 |
| Complexity | 1314.6604 |
Chemical Identifiers
| CAS Number | 681271-85-2 |
|---|---|
| SMILES | COC1=CC=CC(=C1OC)C2CC(=NN2C(=O)CSC3=NN4CCCC(=O)N=C4S3)C5=CC=C(C=C5)Br |
Product Overview
F0544-0057 (CAS 681271-85-2), with molecular formula C25H24BrN5O4S2 and molecular weight 601.05 g/mol. IUPAC: 2-[2-[5-(4-bromophenyl)-3-(2,3-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-6,7-dihydro-5H-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-8-one.
Chemical Property Profile of F0544-0057
Property Insights of F0544-0057
The XLogP value of 4.8734 indicates that F0544-0057 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.16 Ų falls within the moderate polarity range, balancing permeability and solubility for F0544-0057. Following Lipinski's Rule of Five, F0544-0057 has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0544-0057?
The CAS number of F0544-0057 is 681271-85-2.
What is the molecular formula of F0544-0057?
The molecular formula of F0544-0057 is C25H24BrN5O4S2.
What is the molecular weight of F0544-0057?
The molecular weight of F0544-0057 is 601.05 g/mol.
Where can I buy F0544-0057?
You can request a quote for F0544-0057 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0544-0057?
Yes, KEHONG BIO provides custom synthesis services for F0544-0057 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.