BAS 01809468
TL;DR: BAS 01809468 (CAS 306752-58-9) is a chemical compound with molecular formula C26H22ClN5O3S and molecular weight 519.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(E)-N-[[2-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-C-methylcarbonimidoyl]phenyl] acetate
Also Known As: BAS 01809468, 4-{(1E)-1-[2-({[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]ethyl}phenyl acetate, (E)-4-(1-(2-(2-((5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)ethyl)phenyl acetate, [4-[(E)-N-[[2-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-C-methylcarbonimidoyl]phenyl] acetate, 4-[(1E)-N-({[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio}acetyl)ethanehydrazonoyl]phenyl acetate
| Molecular Formula | C26H22ClN5O3S |
|---|---|
| Molecular Weight | 519.11 g/mol |
| LogP | 5.1455 |
| Topological Polar Surface Area | 98.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 519.11316 |
| Heavy Atoms | 36 |
| Complexity | 1387.6191 |
Chemical Identifiers
| CAS Number | 306752-58-9 |
|---|---|
| SMILES | C/C(=N\NC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=CC=C(C=C3)Cl)/C4=CC=C(C=C4)OC(=O)C |
Product Overview
BAS 01809468 (CAS 306752-58-9), with molecular formula C26H22ClN5O3S and molecular weight 519.11 g/mol. IUPAC: [4-[(E)-N-[[2-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-C-methylcarbonimidoyl]phenyl] acetate.
Chemical Property Profile of BAS 01809468
Property Insights of BAS 01809468
The XLogP value of 5.1455 indicates that BAS 01809468 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.47 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01809468. Following Lipinski's Rule of Five, BAS 01809468 has 1 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 BAS 01809468?
The CAS number of BAS 01809468 is 306752-58-9.
What is the molecular formula of BAS 01809468?
The molecular formula of BAS 01809468 is C26H22ClN5O3S.
What is the molecular weight of BAS 01809468?
The molecular weight of BAS 01809468 is 519.11 g/mol.
Where can I buy BAS 01809468?
You can request a quote for BAS 01809468 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01809468?
Yes, KEHONG BIO provides custom synthesis services for BAS 01809468 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.