1-(1,3-Benzodioxol-5-ylmethyl)-3-(4-morpholin-4-ylsulfonylphenyl)thiourea
TL;DR: 1-(1,3-Benzodioxol-5-ylmethyl)-3-(4-morpholin-4-ylsulfonylphenyl)thiourea (CAS 485351-37-9) is a chemical compound with molecular formula C19H21N3O5S2 and molecular weight 435.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-benzodioxol-5-ylmethyl)-3-(4-morpholin-4-ylsulfonylphenyl)thiourea
Also Known As: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-morpholin-4-ylsulfonylphenyl)thiourea, 1-(1,3-benzodioxol-5-ylmethyl)-3-[4-(morpholin-4-ylsulfonyl)phenyl]thiourea, 4-{[4-({[(2H-benzo[3,4-d]1,3-dioxolen-5-ylmethyl)amino]thioxomethyl}amino)phen yl]sulfonyl}morpholine
| Molecular Formula | C19H21N3O5S2 |
|---|---|
| Molecular Weight | 435.09 g/mol |
| LogP | 1.9228 |
| Topological Polar Surface Area | 89.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 435.09225 |
| Heavy Atoms | 29 |
| Complexity | 989.40424 |
Chemical Identifiers
| CAS Number | 485351-37-9 |
|---|---|
| SMILES | C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=S)NCC3=CC4=C(C=C3)OCO4 |
Product Overview
1-(1,3-Benzodioxol-5-ylmethyl)-3-(4-morpholin-4-ylsulfonylphenyl)thiourea (CAS 485351-37-9), with molecular formula C19H21N3O5S2 and molecular weight 435.09 g/mol. IUPAC: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-morpholin-4-ylsulfonylphenyl)thiourea.
Chemical Property Profile of 1-(1,3-Benzodioxol-5-ylmethyl)-3-(4-morpholin-4-ylsulfonylphenyl)thiourea
Property Insights of 1-(1,3-Benzodioxol-5-ylmethyl)-3-(4-morpholin-4-ylsulfonylphenyl)thiourea
The XLogP value of 1.9228 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1,3-Benzodioxol-5-ylmethyl)-3-(4-morpholin-4-ylsulfonylphenyl)thiourea. The TPSA of 89.13 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1,3-Benzodioxol-5-ylmethyl)-3-(4-morpholin-4-ylsulfonylphenyl)thiourea. Following Lipinski's Rule of Five, 1-(1,3-Benzodioxol-5-ylmethyl)-3-(4-morpholin-4-ylsulfonylphenyl)thiourea 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 1-(1,3-Benzodioxol-5-ylmethyl)-3-(4-morpholin-4-ylsulfonylphenyl)thiourea?
The CAS number of 1-(1,3-Benzodioxol-5-ylmethyl)-3-(4-morpholin-4-ylsulfonylphenyl)thiourea is 485351-37-9.
What is the molecular formula of 1-(1,3-Benzodioxol-5-ylmethyl)-3-(4-morpholin-4-ylsulfonylphenyl)thiourea?
The molecular formula of 1-(1,3-Benzodioxol-5-ylmethyl)-3-(4-morpholin-4-ylsulfonylphenyl)thiourea is C19H21N3O5S2.
What is the molecular weight of 1-(1,3-Benzodioxol-5-ylmethyl)-3-(4-morpholin-4-ylsulfonylphenyl)thiourea?
The molecular weight of 1-(1,3-Benzodioxol-5-ylmethyl)-3-(4-morpholin-4-ylsulfonylphenyl)thiourea is 435.09 g/mol.
Where can I buy 1-(1,3-Benzodioxol-5-ylmethyl)-3-(4-morpholin-4-ylsulfonylphenyl)thiourea?
You can request a quote for 1-(1,3-Benzodioxol-5-ylmethyl)-3-(4-morpholin-4-ylsulfonylphenyl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1,3-Benzodioxol-5-ylmethyl)-3-(4-morpholin-4-ylsulfonylphenyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,3-Benzodioxol-5-ylmethyl)-3-(4-morpholin-4-ylsulfonylphenyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.