AB00385229-05
TL;DR: AB00385229-05 (CAS 369398-33-4) is a chemical compound with molecular formula C23H21N3O4S and molecular weight 435.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(1,3-benzodioxol-5-yl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(3,4-dimethylphenyl)acetamide
Also Known As: AB00385229-05, 2-((4-(benzo[d][1,3]dioxol-5-yl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-(3,4-dimethylphenyl)acetamide, 2-{[4-(1,3-benzodioxol-5-yl)-3-cyano-6-hydroxy-4,5-dihydropyridin-2-yl]sulfanyl}-N-(3,4-dimethylphenyl)acetamide, 2-{[4-(2H-1,3-benzodioxol-5-yl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(3,4-dimethylphenyl)acetamide, F1155-0191
| Molecular Formula | C23H21N3O4S |
|---|---|
| Molecular Weight | 435.13 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 126.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 435.12527 |
| Heavy Atoms | 31 |
| Complexity | 791.0 |
Chemical Identifiers
| CAS Number | 369398-33-4 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)CSC2=C(C(CC(=O)N2)C3=CC4=C(C=C3)OCO4)C#N)C |
| InChIKey | DCSBQDUOBRAFDR-UHFFFAOYSA-N |
Product Overview
AB00385229-05 (CAS 369398-33-4), with molecular formula C23H21N3O4S and molecular weight 435.13 g/mol. IUPAC: 2-[[4-(1,3-benzodioxol-5-yl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(3,4-dimethylphenyl)acetamide.
Chemical Property Profile of AB00385229-05
Property Insights of AB00385229-05
The XLogP value of 3.0 indicates that AB00385229-05 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00385229-05. Following Lipinski's Rule of Five, AB00385229-05 has 2 hydrogen bond donor(s) and 6 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 AB00385229-05?
The CAS number of AB00385229-05 is 369398-33-4.
What is the molecular formula of AB00385229-05?
The molecular formula of AB00385229-05 is C23H21N3O4S.
What is the molecular weight of AB00385229-05?
The molecular weight of AB00385229-05 is 435.13 g/mol.
Where can I buy AB00385229-05?
You can request a quote for AB00385229-05 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00385229-05?
Yes, KEHONG BIO provides custom synthesis services for AB00385229-05 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.