AB00022981-01
TL;DR: AB00022981-01 (CAS 4004-14-2) is a chemical compound with molecular formula C20H20Cl2N2O4S and molecular weight 454.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzodioxol-5-yloxymethyl)-N-[(2,4-dichlorophenyl)methyl]morpholine-4-carbothioamide
Also Known As: AB00022981-01, 2-{[(2H-1,3-Benzodioxol-5-yl)oxy]methyl}-N-[(2,4-dichlorophenyl)methyl]morpholine-4-carbothioamide, 2-(1,3-benzodioxol-5-yloxymethyl)-N-[(2,4-dichlorophenyl)methyl]morpholine-4-carbothioamide, 2-(benzo[1,3]dioxol-5-yloxymethyl)-N-[(2,4-dichlorophenyl)methyl]morpholine-4-carbothioamide
| Molecular Formula | C20H20Cl2N2O4S |
|---|---|
| Molecular Weight | 454.05 g/mol |
| LogP | 3.8764 |
| Topological Polar Surface Area | 52.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 454.0521 |
| Heavy Atoms | 29 |
| Complexity | 898.7801 |
Chemical Identifiers
| CAS Number | 4004-14-2 |
|---|---|
| SMILES | C1COC(CN1C(=S)NCC2=C(C=C(C=C2)Cl)Cl)COC3=CC4=C(C=C3)OCO4 |
Product Overview
AB00022981-01 (CAS 4004-14-2), with molecular formula C20H20Cl2N2O4S and molecular weight 454.05 g/mol. IUPAC: 2-(1,3-benzodioxol-5-yloxymethyl)-N-[(2,4-dichlorophenyl)methyl]morpholine-4-carbothioamide.
Chemical Property Profile of AB00022981-01
Property Insights of AB00022981-01
The XLogP value of 3.8764 indicates that AB00022981-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.19 Ų, AB00022981-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00022981-01 has 1 hydrogen bond donor(s) and 5 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 AB00022981-01?
The CAS number of AB00022981-01 is 4004-14-2.
What is the molecular formula of AB00022981-01?
The molecular formula of AB00022981-01 is C20H20Cl2N2O4S.
What is the molecular weight of AB00022981-01?
The molecular weight of AB00022981-01 is 454.05 g/mol.
Where can I buy AB00022981-01?
You can request a quote for AB00022981-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00022981-01?
Yes, KEHONG BIO provides custom synthesis services for AB00022981-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.