BN 50739
TL;DR: BN 50739 (CAS 128672-07-1) is a chemical compound with molecular formula C28H26ClN5O2S3 and molecular weight 595.0937 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[9-(2-chlorophenyl)-3-methyl-17-thia-2,4,5,8,14-pentazatetracyclo[8.7.0.02,6.011,16]heptadeca-1(10),3,5,8,11(16)-pentaen-14-yl]-2-(3,4-dimethoxyphenyl)sulfanylethanethione
Also Known As: BN 50739, EX-A11074, SID:85286075, 4H-Pyrido(4',3':4,5)thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine, 6-(2-chlorophenyl)-9-(2-((3,4-dimethoxyphenyl)thio)-1-thioxoethyl)-7,8,9,10-tetrahydro-1-methyl-, Tetrahydro-4,7,8,10 methyl-(chloro-2-phenyl)-6-((3,4-dimethoxyphenyl)thio)methylthiocarbonyl-9-pyrido(4',3'-4,5)thieno(3,2-f)triazolo-1,2,4(4,3-a)diazepine-1,4
Technical Specifications
| Molecular Formula | C28H26ClN5O2S3 |
| Molecular Weight | 595.0937 g/mol |
| XLogP | 5.4 |
| Topological Polar Surface Area (TPSA) | 150.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 595.0937 Da |
| Heavy Atoms | 39 |
| Complexity | 916.0 |
| SMILES | CC1=NN=C2N1C3=C(C4=C(S3)CN(CC4)C(=S)CSC5=CC(=C(C=C5)OC)OC)C(=NC2)C6=CC=CC=C6Cl |
| InChIKey | MRVWRDZEYURFSW-UHFFFAOYSA-N |
Chemical Property Profile of BN 50739
Property Insights of BN 50739
The XLogP value of 5.4 indicates that BN 50739 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 150.0 Ų indicates high polarity, suggesting BN 50739 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BN 50739 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of BN 50739?
The CAS number of BN 50739 is 128672-07-1.
What is the molecular formula of BN 50739?
The molecular formula of BN 50739 is C28H26ClN5O2S3.
What is the molecular weight of BN 50739?
The molecular weight of BN 50739 is 595.0937 g/mol.
Where can I buy BN 50739?
You can request a quote for BN 50739 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for BN 50739?
Yes, CoreyChem provides custom synthesis services for BN 50739 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.