AO-081/15571218
TL;DR: AO-081/15571218 (CAS 428824-07-1) is a chemical compound with molecular formula C23H23N3O3S and molecular weight 421.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[[2,5-dimethyl-1-(4-prop-2-enoxyphenyl)pyrrol-3-yl]methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: AO-081/15571218, (5E)-5-({2,5-dimethyl-1-[4-(prop-2-en-1-yloxy)phenyl]-1H-pyrrol-3-yl}methylidene)-1-(prop-2-en-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, (5E)-5-[[2,5-dimethyl-1-(4-prop-2-enoxyphenyl)pyrrol-3-yl]methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione, 1-allyl-5-({1-[4-(allyloxy)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}methylene)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
| Molecular Formula | C23H23N3O3S |
|---|---|
| Molecular Weight | 421.15 g/mol |
| LogP | 3.47164 |
| Topological Polar Surface Area | 63.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 421.14603 |
| Heavy Atoms | 30 |
| Complexity | 1064.1077 |
Chemical Identifiers
| CAS Number | 428824-07-1 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC=C(C=C2)OCC=C)C)/C=C/3\C(=O)NC(=S)N(C3=O)CC=C |
Product Overview
AO-081/15571218 (CAS 428824-07-1), with molecular formula C23H23N3O3S and molecular weight 421.15 g/mol. IUPAC: (5E)-5-[[2,5-dimethyl-1-(4-prop-2-enoxyphenyl)pyrrol-3-yl]methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of AO-081/15571218
Property Insights of AO-081/15571218
The XLogP value of 3.47164 indicates that AO-081/15571218 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.57 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-081/15571218. Following Lipinski's Rule of Five, AO-081/15571218 has 1 hydrogen bond donor(s) and 4 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-081/15571218?
The CAS number of AO-081/15571218 is 428824-07-1.
What is the molecular formula of AO-081/15571218?
The molecular formula of AO-081/15571218 is C23H23N3O3S.
What is the molecular weight of AO-081/15571218?
The molecular weight of AO-081/15571218 is 421.15 g/mol.
Where can I buy AO-081/15571218?
You can request a quote for AO-081/15571218 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-081/15571218?
Yes, KEHONG BIO provides custom synthesis services for AO-081/15571218 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.