A3029/0127780
TL;DR: A3029/0127780 (CAS 538337-78-9) is a chemical compound with molecular formula C28H30N4O2S and molecular weight 486.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[(4-tert-butylphenoxy)methyl]-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
Also Known As: A3029/0127780, 2-({5-[(4-tert-butylphenoxy)methyl]-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-phenylacetamide, 2-{[5-[(4-tert-butylphenoxy)methyl]-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenylacetamide, 2-((5-((4-(tert-Butyl)phenoxy)methyl)-4-(m-tolyl)-4H-1,2,4-triazol-3-yl)thio)-N-phenylacetamide, 2-((5-((4-TERT-BUTYLPHENOXY)METHYL)-4-(3-METHYLPHENYL)-4H-1,2,4-TRIAZOL-3-YL)SULFANYL)-N-PHENYLACETAMIDE
| Molecular Formula | C28H30N4O2S |
|---|---|
| Molecular Weight | 486.21 g/mol |
| LogP | 6.18302 |
| Topological Polar Surface Area | 69.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 486.20895 |
| Heavy Atoms | 35 |
| Complexity | 1278.5676 |
Chemical Identifiers
| CAS Number | 538337-78-9 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N2C(=NN=C2SCC(=O)NC3=CC=CC=C3)COC4=CC=C(C=C4)C(C)(C)C |
Product Overview
A3029/0127780 (CAS 538337-78-9), with molecular formula C28H30N4O2S and molecular weight 486.21 g/mol. IUPAC: 2-[[5-[(4-tert-butylphenoxy)methyl]-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide.
Chemical Property Profile of A3029/0127780
Property Insights of A3029/0127780
The XLogP value of 6.18302 indicates that A3029/0127780 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 A3029/0127780. Following Lipinski's Rule of Five, A3029/0127780 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A3029/0127780?
The CAS number of A3029/0127780 is 538337-78-9.
What is the molecular formula of A3029/0127780?
The molecular formula of A3029/0127780 is C28H30N4O2S.
What is the molecular weight of A3029/0127780?
The molecular weight of A3029/0127780 is 486.21 g/mol.
Where can I buy A3029/0127780?
You can request a quote for A3029/0127780 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3029/0127780?
Yes, KEHONG BIO provides custom synthesis services for A3029/0127780 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.