BAS 01810780
TL;DR: BAS 01810780 (CAS 329910-93-2) is a chemical compound with molecular formula C22H23N5O5S and molecular weight 469.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[(E)-[[2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
Also Known As: BAS 01810780, (2-{(E)-[({[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]thio}acetyl)hydrazono]methyl}phenoxy)acetic acid, (2-{(E)-[2-({[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}phenoxy)acetic acid, (E)-2-(2-((2-(2-((4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)phenoxy)acetic acid, 2-[2-((1E)-2-{2-[4-ethyl-5-(4-methoxyphenyl)(1,2,4-triazol-3-ylthio)]acetylami no}-2-azavinyl)phenoxy]acetic acid
| Molecular Formula | C22H23N5O5S |
|---|---|
| Molecular Weight | 469.14 g/mol |
| LogP | 2.6794 |
| Topological Polar Surface Area | 127.93 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 469.142 |
| Heavy Atoms | 33 |
| Complexity | 1130.4602 |
Chemical Identifiers
| CAS Number | 329910-93-2 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)N/N=C/C2=CC=CC=C2OCC(=O)O)C3=CC=C(C=C3)OC |
Product Overview
BAS 01810780 (CAS 329910-93-2), with molecular formula C22H23N5O5S and molecular weight 469.14 g/mol. IUPAC: 2-[2-[(E)-[[2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]phenoxy]acetic acid.
Chemical Property Profile of BAS 01810780
Property Insights of BAS 01810780
The XLogP value of 2.6794 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 01810780. The TPSA of 127.93 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01810780. Following Lipinski's Rule of Five, BAS 01810780 has 2 hydrogen bond donor(s) and 8 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 BAS 01810780?
The CAS number of BAS 01810780 is 329910-93-2.
What is the molecular formula of BAS 01810780?
The molecular formula of BAS 01810780 is C22H23N5O5S.
What is the molecular weight of BAS 01810780?
The molecular weight of BAS 01810780 is 469.14 g/mol.
Where can I buy BAS 01810780?
You can request a quote for BAS 01810780 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01810780?
Yes, KEHONG BIO provides custom synthesis services for BAS 01810780 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.