![N-{[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl}-2,3-dihydro-1,4-benzodioxine-6-carboxamide structure](/static/products/878/878968-89-9.png)
N-{[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl}-2,3-dihydro-1,4-benzodioxine-6-carboxamide
TL;DR: N-{[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl}-2,3-dihydro-1,4-benzodioxine-6-carboxamide (CAS 878968-89-9) is a chemical compound with molecular formula C21H23N3O4S and molecular weight 413.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
Also Known As: N-{[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl}-2,3-dihydro-1,4-benzodioxine-6-carboxamide, 1-(2,3-Dihydro-benzo[1,4]dioxine-6-carbonyl)-3-(4-morpholin-4-ylmethyl-phenyl)-thiourea, N-((4-(morpholinomethyl)phenyl)carbamothioyl)-2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamide, N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
| Molecular Formula | C21H23N3O4S |
|---|---|
| Molecular Weight | 413.14 g/mol |
| LogP | 2.4168 |
| Topological Polar Surface Area | 72.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 413.14093 |
| Heavy Atoms | 29 |
| Complexity | 881.995 |
Chemical Identifiers
| CAS Number | 878968-89-9 |
|---|---|
| SMILES | C1COCCN1CC2=CC=C(C=C2)NC(=S)NC(=O)C3=CC4=C(C=C3)OCCO4 |
Product Overview
N-{[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl}-2,3-dihydro-1,4-benzodioxine-6-carboxamide (CAS 878968-89-9), with molecular formula C21H23N3O4S and molecular weight 413.14 g/mol. IUPAC: N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide.
Chemical Property Profile of N-{[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl}-2,3-dihydro-1,4-benzodioxine-6-carboxamide
Property Insights of N-{[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl}-2,3-dihydro-1,4-benzodioxine-6-carboxamide
The XLogP value of 2.4168 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-{[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl}-2,3-dihydro-1,4-benzodioxine-6-carboxamide. The TPSA of 72.06 Ų falls within the moderate polarity range, balancing permeability and solubility for N-{[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl}-2,3-dihydro-1,4-benzodioxine-6-carboxamide. Following Lipinski's Rule of Five, N-{[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl}-2,3-dihydro-1,4-benzodioxine-6-carboxamide 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 N-{[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl}-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The CAS number of N-{[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl}-2,3-dihydro-1,4-benzodioxine-6-carboxamide is 878968-89-9.
What is the molecular formula of N-{[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl}-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The molecular formula of N-{[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl}-2,3-dihydro-1,4-benzodioxine-6-carboxamide is C21H23N3O4S.
What is the molecular weight of N-{[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl}-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The molecular weight of N-{[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl}-2,3-dihydro-1,4-benzodioxine-6-carboxamide is 413.14 g/mol.
Where can I buy N-{[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl}-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
You can request a quote for N-{[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl}-2,3-dihydro-1,4-benzodioxine-6-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-{[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl}-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-{[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl}-2,3-dihydro-1,4-benzodioxine-6-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.