![1,3-Benzodioxole-5-carboxylic acid, 2-[[[4,5,6,7-tetrahydro-3-(methoxycarbonyl)benzo[b]thien-2-yl]amino]thioxomethyl]hydrazide structure](/static/products/5886/588695-60-7.webp)
1,3-Benzodioxole-5-carboxylic acid, 2-[[[4,5,6,7-tetrahydro-3-(methoxycarbonyl)benzo[b]thien-2-yl]amino]thioxomethyl]hydrazide
TL;DR: 1,3-Benzodioxole-5-carboxylic acid, 2-[[[4,5,6,7-tetrahydro-3-(methoxycarbonyl)benzo[b]thien-2-yl]amino]thioxomethyl]hydrazide (CAS 588695-60-7) is a chemical compound with molecular formula C19H19N3O5S2 and molecular weight 433.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(1,3-benzodioxole-5-carbonylamino)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: 1,3-Benzodioxole-5-carboxylic acid, 2-[[[4,5,6,7-tetrahydro-3-(methoxycarbonyl)benzo[b]thien-2-yl]amino]thioxomethyl]hydrazide, methyl 2-({[2-(1,3-benzodioxol-5-ylcarbonyl)hydrazinyl]carbonothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, 1,3-Benzodioxole-5-carboxylic acid, 2-(((4,5,6,7-tetrahydro-3-(methoxycarbonyl)benzo(b)thien-2-yl)amino)thioxomethyl)hydrazide, methyl 2-({[(2H-benzo[3,4-d]1,3-dioxolan-5-ylcarbonylamino)amino]thioxomethyl} amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, methyl 2-[(1,3-benzodioxole-5-carbonylamino)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C19H19N3O5S2 |
|---|---|
| Molecular Weight | 433.08 g/mol |
| LogP | 2.7736 |
| Topological Polar Surface Area | 97.92 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 433.0766 |
| Heavy Atoms | 29 |
| Complexity | 988.4645 |
Chemical Identifiers
| CAS Number | 588695-60-7 |
|---|---|
| SMILES | COC(=O)C1=C(SC2=C1CCCC2)NC(=S)NNC(=O)C3=CC4=C(C=C3)OCO4 |
Product Overview
1,3-Benzodioxole-5-carboxylic acid, 2-[[[4,5,6,7-tetrahydro-3-(methoxycarbonyl)benzo[b]thien-2-yl]amino]thioxomethyl]hydrazide (CAS 588695-60-7), with molecular formula C19H19N3O5S2 and molecular weight 433.08 g/mol. IUPAC: methyl 2-[(1,3-benzodioxole-5-carbonylamino)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of 1,3-Benzodioxole-5-carboxylic acid, 2-[[[4,5,6,7-tetrahydro-3-(methoxycarbonyl)benzo[b]thien-2-yl]amino]thioxomethyl]hydrazide
Property Insights of 1,3-Benzodioxole-5-carboxylic acid, 2-[[[4,5,6,7-tetrahydro-3-(methoxycarbonyl)benzo[b]thien-2-yl]amino]thioxomethyl]hydrazide
The XLogP value of 2.7736 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Benzodioxole-5-carboxylic acid, 2-[[[4,5,6,7-tetrahydro-3-(methoxycarbonyl)benzo[b]thien-2-yl]amino]thioxomethyl]hydrazide. The TPSA of 97.92 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Benzodioxole-5-carboxylic acid, 2-[[[4,5,6,7-tetrahydro-3-(methoxycarbonyl)benzo[b]thien-2-yl]amino]thioxomethyl]hydrazide. Following Lipinski's Rule of Five, 1,3-Benzodioxole-5-carboxylic acid, 2-[[[4,5,6,7-tetrahydro-3-(methoxycarbonyl)benzo[b]thien-2-yl]amino]thioxomethyl]hydrazide has 3 hydrogen bond donor(s) and 7 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 1,3-Benzodioxole-5-carboxylic acid, 2-[[[4,5,6,7-tetrahydro-3-(methoxycarbonyl)benzo[b]thien-2-yl]amino]thioxomethyl]hydrazide?
The CAS number of 1,3-Benzodioxole-5-carboxylic acid, 2-[[[4,5,6,7-tetrahydro-3-(methoxycarbonyl)benzo[b]thien-2-yl]amino]thioxomethyl]hydrazide is 588695-60-7.
What is the molecular formula of 1,3-Benzodioxole-5-carboxylic acid, 2-[[[4,5,6,7-tetrahydro-3-(methoxycarbonyl)benzo[b]thien-2-yl]amino]thioxomethyl]hydrazide?
The molecular formula of 1,3-Benzodioxole-5-carboxylic acid, 2-[[[4,5,6,7-tetrahydro-3-(methoxycarbonyl)benzo[b]thien-2-yl]amino]thioxomethyl]hydrazide is C19H19N3O5S2.
What is the molecular weight of 1,3-Benzodioxole-5-carboxylic acid, 2-[[[4,5,6,7-tetrahydro-3-(methoxycarbonyl)benzo[b]thien-2-yl]amino]thioxomethyl]hydrazide?
The molecular weight of 1,3-Benzodioxole-5-carboxylic acid, 2-[[[4,5,6,7-tetrahydro-3-(methoxycarbonyl)benzo[b]thien-2-yl]amino]thioxomethyl]hydrazide is 433.08 g/mol.
Where can I buy 1,3-Benzodioxole-5-carboxylic acid, 2-[[[4,5,6,7-tetrahydro-3-(methoxycarbonyl)benzo[b]thien-2-yl]amino]thioxomethyl]hydrazide?
You can request a quote for 1,3-Benzodioxole-5-carboxylic acid, 2-[[[4,5,6,7-tetrahydro-3-(methoxycarbonyl)benzo[b]thien-2-yl]amino]thioxomethyl]hydrazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Benzodioxole-5-carboxylic acid, 2-[[[4,5,6,7-tetrahydro-3-(methoxycarbonyl)benzo[b]thien-2-yl]amino]thioxomethyl]hydrazide?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzodioxole-5-carboxylic acid, 2-[[[4,5,6,7-tetrahydro-3-(methoxycarbonyl)benzo[b]thien-2-yl]amino]thioxomethyl]hydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.