AN-919/40868727
TL;DR: AN-919/40868727 (CAS 442572-27-2) is a chemical compound with molecular formula C29H30N4O5S and molecular weight 546.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
Also Known As: AN-919/40868727, 2-{[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide, 2-((5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl)thio)-N-(3,4-dimethoxyphenethyl)acetamide, 2-[[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
| Molecular Formula | C29H30N4O5S |
|---|---|
| Molecular Weight | 546.19 g/mol |
| LogP | 4.691 |
| Topological Polar Surface Area | 104.69 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 12 |
| Exact Mass | 546.19366 |
| Heavy Atoms | 39 |
| Complexity | 1398.2058 |
Chemical Identifiers
| CAS Number | 442572-27-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=C(N=NC(=N2)SCC(=O)NCCC3=CC(=C(C=C3)OC)OC)C4=CC=C(C=C4)OC |
Product Overview
AN-919/40868727 (CAS 442572-27-2), with molecular formula C29H30N4O5S and molecular weight 546.19 g/mol. IUPAC: 2-[[5,6-bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]sulfanyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide.
Chemical Property Profile of AN-919/40868727
Property Insights of AN-919/40868727
The XLogP value of 4.691 indicates that AN-919/40868727 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.69 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-919/40868727. Following Lipinski's Rule of Five, AN-919/40868727 has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AN-919/40868727?
The CAS number of AN-919/40868727 is 442572-27-2.
What is the molecular formula of AN-919/40868727?
The molecular formula of AN-919/40868727 is C29H30N4O5S.
What is the molecular weight of AN-919/40868727?
The molecular weight of AN-919/40868727 is 546.19 g/mol.
Where can I buy AN-919/40868727?
You can request a quote for AN-919/40868727 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-919/40868727?
Yes, KEHONG BIO provides custom synthesis services for AN-919/40868727 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.