AN-023/42399368
TL;DR: AN-023/42399368 (CAS 678978-31-9) is a chemical compound with molecular formula C21H24N4OS2 and molecular weight 412.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-cyclohexyl-2-[[4-phenyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: AN-023/42399368, N-cyclohexyl-2-[[4-phenyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-cyclohexyl-2-{[4-phenyl-5-(2-thienylmethyl)-4H-1,2,4-triazol-3-yl]thio}acetamide
| Molecular Formula | C21H24N4OS2 |
|---|---|
| Molecular Weight | 412.14 g/mol |
| LogP | 4.4606 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 412.13916 |
| Heavy Atoms | 28 |
| Complexity | 886.5386 |
Chemical Identifiers
| CAS Number | 678978-31-9 |
|---|---|
| SMILES | C1CCC(CC1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)CC4=CC=CS4 |
Product Overview
AN-023/42399368 (CAS 678978-31-9), with molecular formula C21H24N4OS2 and molecular weight 412.14 g/mol. IUPAC: N-cyclohexyl-2-[[4-phenyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of AN-023/42399368
Property Insights of AN-023/42399368
The XLogP value of 4.4606 indicates that AN-023/42399368 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.81 Ų, AN-023/42399368 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AN-023/42399368 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 AN-023/42399368?
The CAS number of AN-023/42399368 is 678978-31-9.
What is the molecular formula of AN-023/42399368?
The molecular formula of AN-023/42399368 is C21H24N4OS2.
What is the molecular weight of AN-023/42399368?
The molecular weight of AN-023/42399368 is 412.14 g/mol.
Where can I buy AN-023/42399368?
You can request a quote for AN-023/42399368 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-023/42399368?
Yes, KEHONG BIO provides custom synthesis services for AN-023/42399368 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.