BAS 02325168
TL;DR: BAS 02325168 (CAS 3845-79-2) is a chemical compound with molecular formula C29H27N5O3S and molecular weight 525.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[(4-methoxyanilino)methyl]-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-1-ylacetamide
Also Known As: BAS 02325168, 2-((4-(4-Methoxyphenyl)-5-(((4-methoxyphenyl)amino)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(naphthalen-1-yl)acetamide, 2-{[4-(4-methoxyphenyl)-5-{[(4-methoxyphenyl)amino]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(naphthalen-1-yl)acetamide, 2-({5-[(4-Methoxyanilino)methyl]-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(naphthalen-1-yl)acetamide, 2-(4-(4-methoxyphenyl)-5-{[(4-methoxyphenyl)amino]methyl}(1,2,4-triazol-3-ylth io))-N-naphthylacetamide
| Molecular Formula | C29H27N5O3S |
|---|---|
| Molecular Weight | 525.18 g/mol |
| LogP | 5.7806 |
| Topological Polar Surface Area | 90.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 525.1835 |
| Heavy Atoms | 38 |
| Complexity | 1529.4645 |
Chemical Identifiers
| CAS Number | 3845-79-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)NCC2=NN=C(N2C3=CC=C(C=C3)OC)SCC(=O)NC4=CC=CC5=CC=CC=C54 |
Product Overview
BAS 02325168 (CAS 3845-79-2), with molecular formula C29H27N5O3S and molecular weight 525.18 g/mol. IUPAC: 2-[[5-[(4-methoxyanilino)methyl]-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-1-ylacetamide.
Chemical Property Profile of BAS 02325168
Property Insights of BAS 02325168
The XLogP value of 5.7806 indicates that BAS 02325168 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.3 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02325168. Following Lipinski's Rule of Five, BAS 02325168 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 02325168?
The CAS number of BAS 02325168 is 3845-79-2.
What is the molecular formula of BAS 02325168?
The molecular formula of BAS 02325168 is C29H27N5O3S.
What is the molecular weight of BAS 02325168?
The molecular weight of BAS 02325168 is 525.18 g/mol.
Where can I buy BAS 02325168?
You can request a quote for BAS 02325168 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02325168?
Yes, KEHONG BIO provides custom synthesis services for BAS 02325168 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.