F0508-4477
TL;DR: F0508-4477 (CAS 394213-55-9) is a chemical compound with molecular formula C29H27N7O4S3 and molecular weight 633.13 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-phenyl-1,2,4-triazol-3-yl]methyl]-4-pyrrolidin-1-ylsulfonylbenzamide
Also Known As: F0508-4477, F0721-0787, N-((5-((2-(benzo[d]thiazol-2-ylamino)-2-oxoethyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)methyl)-4-(pyrrolidin-1-ylsulfonyl)benzamide, N-{[5-({[(1,3-benzothiazol-2-yl)carbamoyl]methyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}-4-(pyrrolidine-1-sulfonyl)benzamide, N-[[5-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]-4-pyrrolidin-1-ylsulfonylbenzamide
| Molecular Formula | C29H27N7O4S3 |
|---|---|
| Molecular Weight | 633.13 g/mol |
| LogP | 4.3223 |
| Topological Polar Surface Area | 139.18 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 633.12866 |
| Heavy Atoms | 43 |
| Complexity | 1834.1555 |
Chemical Identifiers
| CAS Number | 394213-55-9 |
|---|---|
| SMILES | C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3=NN=C(N3C4=CC=CC=C4)SCC(=O)NC5=NC6=CC=CC=C6S5 |
Product Overview
F0508-4477 (CAS 394213-55-9), with molecular formula C29H27N7O4S3 and molecular weight 633.13 g/mol. IUPAC: N-[[5-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]-4-pyrrolidin-1-ylsulfonylbenzamide.
Chemical Property Profile of F0508-4477
Property Insights of F0508-4477
The XLogP value of 4.3223 indicates that F0508-4477 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 139.18 Ų falls within the moderate polarity range, balancing permeability and solubility for F0508-4477. Following Lipinski's Rule of Five, F0508-4477 has 2 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 F0508-4477?
The CAS number of F0508-4477 is 394213-55-9.
What is the molecular formula of F0508-4477?
The molecular formula of F0508-4477 is C29H27N7O4S3.
What is the molecular weight of F0508-4477?
The molecular weight of F0508-4477 is 633.13 g/mol.
Where can I buy F0508-4477?
You can request a quote for F0508-4477 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0508-4477?
Yes, KEHONG BIO provides custom synthesis services for F0508-4477 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.