BAS 03068750
TL;DR: BAS 03068750 (CAS 483330-14-9) is a chemical compound with molecular formula C20H21ClN4O2S and molecular weight 416.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-chloro-2-methylphenyl)-2-[[4-methyl-5-[(2-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: BAS 03068750, N-(5-chloro-2-methylphenyl)-2-({4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide, N-(5-chloro-2-methylphenyl)-2-[[4-methyl-5-[(2-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
| Molecular Formula | C20H21ClN4O2S |
|---|---|
| Molecular Weight | 416.11 g/mol |
| LogP | 4.39514 |
| Topological Polar Surface Area | 69.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 416.10736 |
| Heavy Atoms | 28 |
| Complexity | 990.0871 |
Chemical Identifiers
| CAS Number | 483330-14-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)Cl)NC(=O)CSC2=NN=C(N2C)COC3=CC=CC=C3C |
Product Overview
BAS 03068750 (CAS 483330-14-9), with molecular formula C20H21ClN4O2S and molecular weight 416.11 g/mol. IUPAC: N-(5-chloro-2-methylphenyl)-2-[[4-methyl-5-[(2-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of BAS 03068750
Property Insights of BAS 03068750
The XLogP value of 4.39514 indicates that BAS 03068750 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.04 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 03068750. Following Lipinski's Rule of Five, BAS 03068750 has 1 hydrogen bond donor(s) and 5 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 03068750?
The CAS number of BAS 03068750 is 483330-14-9.
What is the molecular formula of BAS 03068750?
The molecular formula of BAS 03068750 is C20H21ClN4O2S.
What is the molecular weight of BAS 03068750?
The molecular weight of BAS 03068750 is 416.11 g/mol.
Where can I buy BAS 03068750?
You can request a quote for BAS 03068750 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 03068750?
Yes, KEHONG BIO provides custom synthesis services for BAS 03068750 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.