AO-081/15045335
TL;DR: AO-081/15045335 (CAS 461431-57-2) is a chemical compound with molecular formula C22H17Cl2N3O2S and molecular weight 457.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: AO-081/15045335, 5-{[1-(2,4-dichlorobenzyl)-1H-indol-3-yl]methylidene}-1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, 5-[[1-[(2,4-Dichlorophenyl)methyl]-1H-indol-3-yl]methylene]dihydro-1,3-dimethyl-2-thioxo-4,6(1H,5H)-pyrimidinedione, 5-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione, 5-{[1-(2,4-dichlorobenzyl)-1H-indol-3-yl]methylene}-1,3-dimethyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
| Molecular Formula | C22H17Cl2N3O2S |
|---|---|
| Molecular Weight | 457.04 g/mol |
| LogP | 4.5951 |
| Topological Polar Surface Area | 45.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 457.04184 |
| Heavy Atoms | 30 |
| Complexity | 1222.4086 |
Chemical Identifiers
| CAS Number | 461431-57-2 |
|---|---|
| SMILES | CN1C(=O)C(=CC2=CN(C3=CC=CC=C32)CC4=C(C=C(C=C4)Cl)Cl)C(=O)N(C1=S)C |
Product Overview
AO-081/15045335 (CAS 461431-57-2), with molecular formula C22H17Cl2N3O2S and molecular weight 457.04 g/mol. IUPAC: 5-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of AO-081/15045335
Property Insights of AO-081/15045335
The XLogP value of 4.5951 indicates that AO-081/15045335 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.55 Ų, AO-081/15045335 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AO-081/15045335 has 0 hydrogen bond donor(s) and 3 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 AO-081/15045335?
The CAS number of AO-081/15045335 is 461431-57-2.
What is the molecular formula of AO-081/15045335?
The molecular formula of AO-081/15045335 is C22H17Cl2N3O2S.
What is the molecular weight of AO-081/15045335?
The molecular weight of AO-081/15045335 is 457.04 g/mol.
Where can I buy AO-081/15045335?
You can request a quote for AO-081/15045335 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-081/15045335?
Yes, KEHONG BIO provides custom synthesis services for AO-081/15045335 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.