AJ-797/37155021
TL;DR: AJ-797/37155021 (CAS 6450-60-8) is a chemical compound with molecular formula C17H14N2S2 and molecular weight 310.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-2,7-diphenyl-1λ4,8-dithia-2,3-diazabicyclo[3.3.0]octa-1(5),3,6-triene
Also Known As: 6-methyl-3,8-diphenyl-1, AJ-797/37155021, 3-methyl-1,5-diphenyl-1H-7lambda~4~-[1,2]dithiolo[5,1-e][1,2,3]thiadiazole, 4-Methyl-2,7-diphenyl-1lambda4,8-dithia-2,3-diazabicyclo[3.3.0]octa-1(5),3,6-triene, RefChem:317864
| Molecular Formula | C17H14N2S2 |
|---|---|
| Molecular Weight | 310.06 g/mol |
| LogP | 4.9417 |
| Topological Polar Surface Area | 15.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 310.05984 |
| Heavy Atoms | 21 |
| Complexity | 776.9521 |
Chemical Identifiers
| CAS Number | 6450-60-8 |
|---|---|
| SMILES | CC1=NN(S2=C1C=C(S2)C3=CC=CC=C3)C4=CC=CC=C4 |
Product Overview
AJ-797/37155021 (CAS 6450-60-8), with molecular formula C17H14N2S2 and molecular weight 310.06 g/mol. IUPAC: 4-methyl-2,7-diphenyl-1λ4,8-dithia-2,3-diazabicyclo[3.3.0]octa-1(5),3,6-triene.
Chemical Property Profile of AJ-797/37155021
Property Insights of AJ-797/37155021
The XLogP value of 4.9417 indicates that AJ-797/37155021 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 15.6 Ų, AJ-797/37155021 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AJ-797/37155021 has 0 hydrogen bond donor(s) and 3 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 AJ-797/37155021?
The CAS number of AJ-797/37155021 is 6450-60-8.
What is the molecular formula of AJ-797/37155021?
The molecular formula of AJ-797/37155021 is C17H14N2S2.
What is the molecular weight of AJ-797/37155021?
The molecular weight of AJ-797/37155021 is 310.06 g/mol.
Where can I buy AJ-797/37155021?
You can request a quote for AJ-797/37155021 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AJ-797/37155021?
Yes, KEHONG BIO provides custom synthesis services for AJ-797/37155021 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.