(thiophene-2-carbonylamino)carbamoylmethyl 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate
TL;DR: (thiophene-2-carbonylamino)carbamoylmethyl 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate (CAS 5749-82-6) is a chemical compound with molecular formula C23H21N3O6S2 and molecular weight 499.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate
Also Known As: (thiophene-2-carbonylamino)carbamoylmethyl 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate, [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate
| Molecular Formula | C23H21N3O6S2 |
|---|---|
| Molecular Weight | 499.09 g/mol |
| LogP | 2.1131 |
| Topological Polar Surface Area | 121.88 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 499.0872 |
| Heavy Atoms | 34 |
| Complexity | 1321.9882 |
Chemical Identifiers
| CAS Number | 5749-82-6 |
|---|---|
| SMILES | C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=CC(=C3)C(=O)OCC(=O)NNC(=O)C4=CC=CS4 |
Product Overview
(thiophene-2-carbonylamino)carbamoylmethyl 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate (CAS 5749-82-6), with molecular formula C23H21N3O6S2 and molecular weight 499.09 g/mol. IUPAC: [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate.
Chemical Property Profile of (thiophene-2-carbonylamino)carbamoylmethyl 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate
Property Insights of (thiophene-2-carbonylamino)carbamoylmethyl 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate
The XLogP value of 2.1131 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (thiophene-2-carbonylamino)carbamoylmethyl 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate. The TPSA of 121.88 Ų falls within the moderate polarity range, balancing permeability and solubility for (thiophene-2-carbonylamino)carbamoylmethyl 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate. Following Lipinski's Rule of Five, (thiophene-2-carbonylamino)carbamoylmethyl 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate has 2 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 (thiophene-2-carbonylamino)carbamoylmethyl 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate?
The CAS number of (thiophene-2-carbonylamino)carbamoylmethyl 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate is 5749-82-6.
What is the molecular formula of (thiophene-2-carbonylamino)carbamoylmethyl 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate?
The molecular formula of (thiophene-2-carbonylamino)carbamoylmethyl 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate is C23H21N3O6S2.
What is the molecular weight of (thiophene-2-carbonylamino)carbamoylmethyl 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate?
The molecular weight of (thiophene-2-carbonylamino)carbamoylmethyl 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate is 499.09 g/mol.
Where can I buy (thiophene-2-carbonylamino)carbamoylmethyl 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate?
You can request a quote for (thiophene-2-carbonylamino)carbamoylmethyl 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (thiophene-2-carbonylamino)carbamoylmethyl 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for (thiophene-2-carbonylamino)carbamoylmethyl 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.