N,N'-bis(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanediamide
TL;DR: N,N'-bis(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanediamide (CAS 301233-82-9) is a chemical compound with molecular formula C20H22N4O4S2 and molecular weight 446.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N'-bis(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)oxamide
Also Known As: N,N'-bis(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanediamide, F0239-0043, N,N'-bis(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)oxamide, N,N'-bis(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)oxamide, N1,N2-bis(3-carbamoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)oxalamide
| Molecular Formula | C20H22N4O4S2 |
|---|---|
| Molecular Weight | 446.11 g/mol |
| LogP | 2.3422 |
| Topological Polar Surface Area | 144.38 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 446.10825 |
| Heavy Atoms | 30 |
| Complexity | 985.29004 |
Chemical Identifiers
| CAS Number | 301233-82-9 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=O)C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)N)C(=O)N |
Product Overview
N,N'-bis(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanediamide (CAS 301233-82-9), with molecular formula C20H22N4O4S2 and molecular weight 446.11 g/mol. IUPAC: N,N'-bis(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)oxamide.
Chemical Property Profile of N,N'-bis(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanediamide
Property Insights of N,N'-bis(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanediamide
The XLogP value of 2.3422 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N'-bis(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanediamide. The TPSA of 144.38 Ų indicates high polarity, suggesting N,N'-bis(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanediamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N,N'-bis(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanediamide has 4 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,N'-bis(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanediamide?
The CAS number of N,N'-bis(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanediamide is 301233-82-9.
What is the molecular formula of N,N'-bis(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanediamide?
The molecular formula of N,N'-bis(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanediamide is C20H22N4O4S2.
What is the molecular weight of N,N'-bis(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanediamide?
The molecular weight of N,N'-bis(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanediamide is 446.11 g/mol.
Where can I buy N,N'-bis(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanediamide?
You can request a quote for N,N'-bis(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanediamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N'-bis(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanediamide?
Yes, KEHONG BIO provides custom synthesis services for N,N'-bis(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanediamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.