BN 50726
TL;DR: BN 50726 (CAS 14924-02-8) is a chemical compound with molecular formula C34H48ClN5O2S2 and molecular weight 657.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(2-chlorophenyl)-14-hexadecylsulfonyl-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)-pentaene
Also Known As: bx112, 6-(2-chlorophenyl)-9-(hexadecylsulfonyl)-1-methyl-7,8,9,10-tetrahydro-4h-pyrido[4',3':4,5]thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine, 4H-Pyrido[4',3':4,5]thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine, 6-(2-chlorophenyl)-9-(hexadecylsulfonyl)-7,8,9,10-tetrahydro-1-methyl-, 4H-Pyrido[4',3':4,5]thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine,6-(2-chlorophenyl)-9-(hexadecylsulfonyl)-7,8,9,10-tetrahydro-1-methyl-, 6-(2-Chlorophenyl)-9-(hexadecane-1-sulfonyl)-1-methyl-7,8,9,10-tetrahydro-4H-pyrido[4',3':4,5]thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine
| Molecular Formula | C34H48ClN5O2S2 |
|---|---|
| Molecular Weight | 657.29 g/mol |
| LogP | 10.1 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 17 |
| Exact Mass | 657.2938 |
| Heavy Atoms | 44 |
| Complexity | 1010.0 |
Chemical Identifiers
| CAS Number | 14924-02-8 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCS(=O)(=O)N1CCC2=C(C1)SC3=C2C(=NCC4=NN=C(N43)C)C5=CC=CC=C5Cl |
| InChIKey | XYNVFDKKFDLTPP-UHFFFAOYSA-N |
Product Overview
BN 50726 (CAS 14924-02-8), with molecular formula C34H48ClN5O2S2 and molecular weight 657.29 g/mol. IUPAC: 9-(2-chlorophenyl)-14-hexadecylsulfonyl-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)-pentaene.
Chemical Property Profile of BN 50726
Property Insights of BN 50726
The XLogP value of 10.1 indicates that BN 50726 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BN 50726. Following Lipinski's Rule of Five, BN 50726 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BN 50726?
The CAS number of BN 50726 is 14924-02-8.
What is the molecular formula of BN 50726?
The molecular formula of BN 50726 is C34H48ClN5O2S2.
What is the molecular weight of BN 50726?
The molecular weight of BN 50726 is 657.29 g/mol.
Where can I buy BN 50726?
You can request a quote for BN 50726 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BN 50726?
Yes, KEHONG BIO provides custom synthesis services for BN 50726 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.