BAS 03068706
TL;DR: BAS 03068706 (CAS 483329-87-9) is a chemical compound with molecular formula C19H19N5O4S and molecular weight 413.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-methyl-5-[(2-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)acetamide
Also Known As: BAS 03068706, 2-({4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-nitrophenyl)acetamide, 2-[[4-methyl-5-[(2-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)acetamide, GNF-Pf-4891
| Molecular Formula | C19H19N5O4S |
|---|---|
| Molecular Weight | 413.12 g/mol |
| LogP | 3.34152 |
| Topological Polar Surface Area | 112.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 413.11578 |
| Heavy Atoms | 29 |
| Complexity | 1019.6939 |
Chemical Identifiers
| CAS Number | 483329-87-9 |
|---|---|
| SMILES | CC1=CC=CC=C1OCC2=NN=C(N2C)SCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
BAS 03068706 (CAS 483329-87-9), with molecular formula C19H19N5O4S and molecular weight 413.12 g/mol. IUPAC: 2-[[4-methyl-5-[(2-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)acetamide.
Chemical Property Profile of BAS 03068706
Property Insights of BAS 03068706
The XLogP value of 3.34152 indicates that BAS 03068706 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.18 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 03068706. Following Lipinski's Rule of Five, BAS 03068706 has 1 hydrogen bond donor(s) and 7 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 03068706?
The CAS number of BAS 03068706 is 483329-87-9.
What is the molecular formula of BAS 03068706?
The molecular formula of BAS 03068706 is C19H19N5O4S.
What is the molecular weight of BAS 03068706?
The molecular weight of BAS 03068706 is 413.12 g/mol.
Where can I buy BAS 03068706?
You can request a quote for BAS 03068706 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 03068706?
Yes, KEHONG BIO provides custom synthesis services for BAS 03068706 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.