F0597-0027
TL;DR: F0597-0027 (CAS 851130-80-8) is a chemical compound with molecular formula C13H11Cl2N3OS2 and molecular weight 358.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3,4-dichlorophenyl)methylsulfanyl]-6,7-dihydro-5H-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-8-one
Also Known As: F0597-0027, 2-((3,4-dichlorobenzyl)thio)-6,7-dihydro-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-8(5H)-one, 2-{[(3,4-dichlorophenyl)methyl]sulfanyl}-5H,6H,7H,8H-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-8-one, 2-[(3,4-dichlorophenyl)methylsulfanyl]-6,7-dihydro-5H-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-8-one, 2-[(3,4-dichlorophenyl)methylthio]-1-thia-3,3a,8-triaza-5,6-dihydro-7(4H)-azulenone
| Molecular Formula | C13H11Cl2N3OS2 |
|---|---|
| Molecular Weight | 358.97 g/mol |
| LogP | 4.2228 |
| Topological Polar Surface Area | 45.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 358.97205 |
| Heavy Atoms | 21 |
| Complexity | 648.3036 |
Chemical Identifiers
| CAS Number | 851130-80-8 |
|---|---|
| SMILES | C1CC(=O)N=C2N(C1)N=C(S2)SCC3=CC(=C(C=C3)Cl)Cl |
Product Overview
F0597-0027 (CAS 851130-80-8), with molecular formula C13H11Cl2N3OS2 and molecular weight 358.97 g/mol. IUPAC: 2-[(3,4-dichlorophenyl)methylsulfanyl]-6,7-dihydro-5H-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-8-one.
Chemical Property Profile of F0597-0027
Property Insights of F0597-0027
The XLogP value of 4.2228 indicates that F0597-0027 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.03 Ų, F0597-0027 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, F0597-0027 has 0 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 F0597-0027?
The CAS number of F0597-0027 is 851130-80-8.
What is the molecular formula of F0597-0027?
The molecular formula of F0597-0027 is C13H11Cl2N3OS2.
What is the molecular weight of F0597-0027?
The molecular weight of F0597-0027 is 358.97 g/mol.
Where can I buy F0597-0027?
You can request a quote for F0597-0027 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0597-0027?
Yes, KEHONG BIO provides custom synthesis services for F0597-0027 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.