![N-[(5-iodopyridin-2-yl)carbamothioyl]-1,3-benzodioxole-5-carboxamide structure](/static/products/824/824422-72-2.png)
N-[(5-iodopyridin-2-yl)carbamothioyl]-1,3-benzodioxole-5-carboxamide
TL;DR: N-[(5-iodopyridin-2-yl)carbamothioyl]-1,3-benzodioxole-5-carboxamide (CAS 824422-72-2) is a chemical compound with molecular formula C14H10IN3O3S and molecular weight 426.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(5-iodo-2-pyridinyl)carbamothioyl]-1,3-benzodioxole-5-carboxamide
Also Known As: AP-970/42736497, N-[(5-iodopyridin-2-yl)carbamothioyl]-1,3-benzodioxole-5-carboxamide, N-(1,3-benzodioxol-5-ylcarbonyl)-N'-(5-iodo-2-pyridinyl)thiourea, N-[(5-iodopyridin-2-yl)thiocarbamoyl]benzo[1,3]dioxole-5-carboxamide
| Molecular Formula | C14H10IN3O3S |
|---|---|
| Molecular Weight | 426.95 g/mol |
| LogP | 2.5417 |
| Topological Polar Surface Area | 72.48 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 426.94876 |
| Heavy Atoms | 22 |
| Complexity | 736.613 |
Chemical Identifiers
| CAS Number | 824422-72-2 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C(=O)NC(=S)NC3=NC=C(C=C3)I |
Product Overview
N-[(5-iodopyridin-2-yl)carbamothioyl]-1,3-benzodioxole-5-carboxamide (CAS 824422-72-2), with molecular formula C14H10IN3O3S and molecular weight 426.95 g/mol. IUPAC: N-[(5-iodo-2-pyridinyl)carbamothioyl]-1,3-benzodioxole-5-carboxamide.
Chemical Property Profile of N-[(5-iodopyridin-2-yl)carbamothioyl]-1,3-benzodioxole-5-carboxamide
Property Insights of N-[(5-iodopyridin-2-yl)carbamothioyl]-1,3-benzodioxole-5-carboxamide
The XLogP value of 2.5417 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(5-iodopyridin-2-yl)carbamothioyl]-1,3-benzodioxole-5-carboxamide. The TPSA of 72.48 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(5-iodopyridin-2-yl)carbamothioyl]-1,3-benzodioxole-5-carboxamide. Following Lipinski's Rule of Five, N-[(5-iodopyridin-2-yl)carbamothioyl]-1,3-benzodioxole-5-carboxamide has 2 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 N-[(5-iodopyridin-2-yl)carbamothioyl]-1,3-benzodioxole-5-carboxamide?
The CAS number of N-[(5-iodopyridin-2-yl)carbamothioyl]-1,3-benzodioxole-5-carboxamide is 824422-72-2.
What is the molecular formula of N-[(5-iodopyridin-2-yl)carbamothioyl]-1,3-benzodioxole-5-carboxamide?
The molecular formula of N-[(5-iodopyridin-2-yl)carbamothioyl]-1,3-benzodioxole-5-carboxamide is C14H10IN3O3S.
What is the molecular weight of N-[(5-iodopyridin-2-yl)carbamothioyl]-1,3-benzodioxole-5-carboxamide?
The molecular weight of N-[(5-iodopyridin-2-yl)carbamothioyl]-1,3-benzodioxole-5-carboxamide is 426.95 g/mol.
Where can I buy N-[(5-iodopyridin-2-yl)carbamothioyl]-1,3-benzodioxole-5-carboxamide?
You can request a quote for N-[(5-iodopyridin-2-yl)carbamothioyl]-1,3-benzodioxole-5-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(5-iodopyridin-2-yl)carbamothioyl]-1,3-benzodioxole-5-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(5-iodopyridin-2-yl)carbamothioyl]-1,3-benzodioxole-5-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.