BAS 01811031
TL;DR: BAS 01811031 (CAS 499125-98-3) is a chemical compound with molecular formula C20H22N6O2S2 and molecular weight 442.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethyl-3-[[2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]thiourea
Also Known As: BAS 01811031, N-ethyl-2-({[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinecarbothioamide, 1-ethyl-3-[[2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]thiourea, N-{[(ethylamino)thioxomethyl]amino}-2-[5-(4-methoxyphenyl)-4-phenyl(1,2,4-tria zol-3-ylthio)]acetamide, N-ethyl-2-(2-((5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazinecarbothioamide
| Molecular Formula | C20H22N6O2S2 |
|---|---|
| Molecular Weight | 442.12 g/mol |
| LogP | 2.5502 |
| Topological Polar Surface Area | 93.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 442.12457 |
| Heavy Atoms | 30 |
| Complexity | 992.29114 |
Chemical Identifiers
| CAS Number | 499125-98-3 |
|---|---|
| SMILES | CCNC(=S)NNC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=CC=C(C=C3)OC |
Product Overview
BAS 01811031 (CAS 499125-98-3), with molecular formula C20H22N6O2S2 and molecular weight 442.12 g/mol. IUPAC: 1-ethyl-3-[[2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]thiourea.
Chemical Property Profile of BAS 01811031
Property Insights of BAS 01811031
The XLogP value of 2.5502 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 01811031. The TPSA of 93.1 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01811031. Following Lipinski's Rule of Five, BAS 01811031 has 3 hydrogen bond donor(s) and 6 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 01811031?
The CAS number of BAS 01811031 is 499125-98-3.
What is the molecular formula of BAS 01811031?
The molecular formula of BAS 01811031 is C20H22N6O2S2.
What is the molecular weight of BAS 01811031?
The molecular weight of BAS 01811031 is 442.12 g/mol.
Where can I buy BAS 01811031?
You can request a quote for BAS 01811031 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01811031?
Yes, KEHONG BIO provides custom synthesis services for BAS 01811031 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.