A1806/0076317
TL;DR: A1806/0076317 (CAS 312288-56-5) is a chemical compound with molecular formula C32H30N4O3S and molecular weight 550.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzhydryl-2-[[5-(3,4-dimethoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanamide
Also Known As: A1806/0076317, N-benzhydryl-2-((5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)propanamide, 2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(diphenylmethyl)propanamide, N-benzhydryl-2-[[5-(3,4-dimethoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanamide, 2-[5-(3,4-dimethoxyphenyl)-4-phenyl(1,2,4-triazol-3-ylthio)]-N-(diphenylmethyl )propanamide
| Molecular Formula | C32H30N4O3S |
|---|---|
| Molecular Weight | 550.20 g/mol |
| LogP | 6.3379 |
| Topological Polar Surface Area | 78.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 550.20386 |
| Heavy Atoms | 40 |
| Complexity | 1520.1804 |
Chemical Identifiers
| CAS Number | 312288-56-5 |
|---|---|
| SMILES | CC(C(=O)NC(C1=CC=CC=C1)C2=CC=CC=C2)SC3=NN=C(N3C4=CC=CC=C4)C5=CC(=C(C=C5)OC)OC |
Product Overview
A1806/0076317 (CAS 312288-56-5), with molecular formula C32H30N4O3S and molecular weight 550.20 g/mol. IUPAC: N-benzhydryl-2-[[5-(3,4-dimethoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanamide.
Chemical Property Profile of A1806/0076317
Property Insights of A1806/0076317
The XLogP value of 6.3379 indicates that A1806/0076317 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.27 Ų falls within the moderate polarity range, balancing permeability and solubility for A1806/0076317. Following Lipinski's Rule of Five, A1806/0076317 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A1806/0076317?
The CAS number of A1806/0076317 is 312288-56-5.
What is the molecular formula of A1806/0076317?
The molecular formula of A1806/0076317 is C32H30N4O3S.
What is the molecular weight of A1806/0076317?
The molecular weight of A1806/0076317 is 550.20 g/mol.
Where can I buy A1806/0076317?
You can request a quote for A1806/0076317 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1806/0076317?
Yes, KEHONG BIO provides custom synthesis services for A1806/0076317 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.