AB00111045-01
TL;DR: AB00111045-01 (CAS 429636-01-1) is a chemical compound with molecular formula C16H17ClN2O3S and molecular weight 352.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[(3-chloro-5-ethoxy-4-prop-2-enoxyphenyl)methylidene]-3-methyl-2-sulfanylideneimidazolidin-4-one
Also Known As: AB00111045-01, AN-989/40768627, 5-[4-(allyloxy)-3-chloro-5-ethoxybenzylidene]-3-methyl-2-thioxo-4-imidazolidinone, (5Z)-5-[(3-chloro-5-ethoxy-4-prop-2-enoxyphenyl)methylidene]-3-methyl-2-sulfanylideneimidazolidin-4-one, (5Z)-5-[3-chloro-5-ethoxy-4-(prop-2-en-1-yloxy)benzylidene]-3-methyl-2-thioxoimidazolidin-4-one
| Molecular Formula | C16H17ClN2O3S |
|---|---|
| Molecular Weight | 352.06 g/mol |
| LogP | 2.9909 |
| Topological Polar Surface Area | 50.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 352.06485 |
| Heavy Atoms | 23 |
| Complexity | 688.1481 |
Chemical Identifiers
| CAS Number | 429636-01-1 |
|---|---|
| SMILES | CCOC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=S)N2)C)Cl)OCC=C |
Product Overview
AB00111045-01 (CAS 429636-01-1), with molecular formula C16H17ClN2O3S and molecular weight 352.06 g/mol. IUPAC: (5Z)-5-[(3-chloro-5-ethoxy-4-prop-2-enoxyphenyl)methylidene]-3-methyl-2-sulfanylideneimidazolidin-4-one.
Chemical Property Profile of AB00111045-01
Property Insights of AB00111045-01
The XLogP value of 2.9909 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00111045-01. With a topological polar surface area (TPSA) of 50.8 Ų, AB00111045-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00111045-01 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 AB00111045-01?
The CAS number of AB00111045-01 is 429636-01-1.
What is the molecular formula of AB00111045-01?
The molecular formula of AB00111045-01 is C16H17ClN2O3S.
What is the molecular weight of AB00111045-01?
The molecular weight of AB00111045-01 is 352.06 g/mol.
Where can I buy AB00111045-01?
You can request a quote for AB00111045-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00111045-01?
Yes, KEHONG BIO provides custom synthesis services for AB00111045-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.