F0529-0702
TL;DR: F0529-0702 (CAS 476466-07-6) is a chemical compound with molecular formula C20H19N3O3S3 and molecular weight 445.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2-[[5-[(2-benzylsulfanylacetyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate
Also Known As: F0529-0702, benzyl 2-({5-[2-(benzylsulfanyl)acetamido]-1,3,4-thiadiazol-2-yl}sulfanyl)acetate, Benzyl 2-[[5-[(2-benzylsulfanylacetyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate, benzyl 2-((5-(2-(benzylthio)acetamido)-1,3,4-thiadiazol-2-yl)thio)acetate, benzyl (5-{[(benzylthio)methyl]carbonylamino}-1,3,4-thiadiazol-2-ylthio)acetate
| Molecular Formula | C20H19N3O3S3 |
|---|---|
| Molecular Weight | 445.06 g/mol |
| LogP | 4.2455 |
| Topological Polar Surface Area | 81.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 445.05887 |
| Heavy Atoms | 29 |
| Complexity | 920.23553 |
Chemical Identifiers
| CAS Number | 476466-07-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)CSC2=NN=C(S2)NC(=O)CSCC3=CC=CC=C3 |
Product Overview
F0529-0702 (CAS 476466-07-6), with molecular formula C20H19N3O3S3 and molecular weight 445.06 g/mol. IUPAC: benzyl 2-[[5-[(2-benzylsulfanylacetyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate.
Chemical Property Profile of F0529-0702
Property Insights of F0529-0702
The XLogP value of 4.2455 indicates that F0529-0702 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.18 Ų falls within the moderate polarity range, balancing permeability and solubility for F0529-0702. Following Lipinski's Rule of Five, F0529-0702 has 1 hydrogen bond donor(s) and 8 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 F0529-0702?
The CAS number of F0529-0702 is 476466-07-6.
What is the molecular formula of F0529-0702?
The molecular formula of F0529-0702 is C20H19N3O3S3.
What is the molecular weight of F0529-0702?
The molecular weight of F0529-0702 is 445.06 g/mol.
Where can I buy F0529-0702?
You can request a quote for F0529-0702 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0529-0702?
Yes, KEHONG BIO provides custom synthesis services for F0529-0702 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.