F0772-0595
TL;DR: F0772-0595 (CAS 309968-58-9) is a chemical compound with molecular formula C31H31N7O5S3 and molecular weight 677.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[5-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl-4-(2,5-dimethylphenyl)-1,2,4-triazol-3-yl]methyl]-4-morpholin-4-ylsulfonylbenzamide
Also Known As: F0772-0595, N-((5-((2-(benzo[d]thiazol-2-ylamino)-2-oxoethyl)thio)-4-(2,5-dimethylphenyl)-4H-1,2,4-triazol-3-yl)methyl)-4-(morpholinosulfonyl)benzamide, N-{[5-({[(1,3-benzothiazol-2-yl)carbamoyl]methyl}sulfanyl)-4-(2,5-dimethylphenyl)-4H-1,2,4-triazol-3-yl]methyl}-4-(morpholine-4-sulfonyl)benzamide, N-[[5-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl-4-(2,5-dimethylphenyl)-1,2,4-triazol-3-yl]methyl]-4-morpholin-4-ylsulfonylbenzamide
| Molecular Formula | C31H31N7O5S3 |
|---|---|
| Molecular Weight | 677.15 g/mol |
| LogP | 4.17554 |
| Topological Polar Surface Area | 148.41 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 10 |
| Exact Mass | 677.1549 |
| Heavy Atoms | 46 |
| Complexity | 1969.5092 |
Chemical Identifiers
| CAS Number | 309968-58-9 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)N2C(=NN=C2SCC(=O)NC3=NC4=CC=CC=C4S3)CNC(=O)C5=CC=C(C=C5)S(=O)(=O)N6CCOCC6 |
Product Overview
F0772-0595 (CAS 309968-58-9), with molecular formula C31H31N7O5S3 and molecular weight 677.15 g/mol. IUPAC: N-[[5-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl-4-(2,5-dimethylphenyl)-1,2,4-triazol-3-yl]methyl]-4-morpholin-4-ylsulfonylbenzamide.
Chemical Property Profile of F0772-0595
Property Insights of F0772-0595
The XLogP value of 4.17554 indicates that F0772-0595 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 148.41 Ų indicates high polarity, suggesting F0772-0595 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, F0772-0595 has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0772-0595?
The CAS number of F0772-0595 is 309968-58-9.
What is the molecular formula of F0772-0595?
The molecular formula of F0772-0595 is C31H31N7O5S3.
What is the molecular weight of F0772-0595?
The molecular weight of F0772-0595 is 677.15 g/mol.
Where can I buy F0772-0595?
You can request a quote for F0772-0595 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0772-0595?
Yes, KEHONG BIO provides custom synthesis services for F0772-0595 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.