BAS 01809996
TL;DR: BAS 01809996 (CAS 315229-98-2) is a chemical compound with molecular formula C27H25N5O5S and molecular weight 531.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-methoxy-4-[(E)-[[2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]phenyl] acetate
Also Known As: BAS 01809996, 2-methoxy-4-{(E)-[2-({[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}phenyl acetate, (E)-2-methoxy-4-((2-(2-((5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)phenyl acetate, [2-methoxy-4-[(E)-[[2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]phenyl] acetate, 2-METHOXY-4-[(E)-[(2-{[5-(4-METHOXYPHENYL)-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}ACETAMIDO)IMINO]METHYL]PHENYL ACETATE
| Molecular Formula | C27H25N5O5S |
|---|---|
| Molecular Weight | 531.16 g/mol |
| LogP | 4.1192 |
| Topological Polar Surface Area | 116.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 531.15765 |
| Heavy Atoms | 38 |
| Complexity | 1438.2561 |
Chemical Identifiers
| CAS Number | 315229-98-2 |
|---|---|
| SMILES | CC(=O)OC1=C(C=C(C=C1)/C=N/NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)OC)OC |
Product Overview
BAS 01809996 (CAS 315229-98-2), with molecular formula C27H25N5O5S and molecular weight 531.16 g/mol. IUPAC: [2-methoxy-4-[(E)-[[2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]phenyl] acetate.
Chemical Property Profile of BAS 01809996
Property Insights of BAS 01809996
The XLogP value of 4.1192 indicates that BAS 01809996 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.93 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01809996. Following Lipinski's Rule of Five, BAS 01809996 has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 01809996?
The CAS number of BAS 01809996 is 315229-98-2.
What is the molecular formula of BAS 01809996?
The molecular formula of BAS 01809996 is C27H25N5O5S.
What is the molecular weight of BAS 01809996?
The molecular weight of BAS 01809996 is 531.16 g/mol.
Where can I buy BAS 01809996?
You can request a quote for BAS 01809996 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01809996?
Yes, KEHONG BIO provides custom synthesis services for BAS 01809996 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.