![N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl)acetamide structure](/static/products/863/863004-40-4.png)
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl)acetamide
TL;DR: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl)acetamide (CAS 863004-40-4) is a chemical compound with molecular formula C20H20N2O4S and molecular weight 384.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methyl-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide
Also Known As: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl)acetamide, N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methyl-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide, N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methyl-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamide, N-(benzo[d][1,3]dioxol-5-ylmethyl)-2-(2-methyl-4-oxo-3,4-dihydrobenzo[b][1,4]thiazepin-5(2H)-yl)acetamide, N-[(2H-1,3-benzodioxol-5-yl)methyl](2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl)acetamide
| Molecular Formula | C20H20N2O4S |
|---|---|
| Molecular Weight | 384.11 g/mol |
| LogP | 2.949 |
| Topological Polar Surface Area | 67.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 384.11438 |
| Heavy Atoms | 27 |
| Complexity | 886.03546 |
Chemical Identifiers
| CAS Number | 863004-40-4 |
|---|---|
| SMILES | CC1CC(=O)N(C2=CC=CC=C2S1)CC(=O)NCC3=CC4=C(C=C3)OCO4 |
Product Overview
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl)acetamide (CAS 863004-40-4), with molecular formula C20H20N2O4S and molecular weight 384.11 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methyl-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide.
Chemical Property Profile of N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl)acetamide
Property Insights of N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl)acetamide
The XLogP value of 2.949 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl)acetamide. The TPSA of 67.87 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl)acetamide. Following Lipinski's Rule of Five, N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl)acetamide has 1 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-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl)acetamide?
The CAS number of N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl)acetamide is 863004-40-4.
What is the molecular formula of N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl)acetamide?
The molecular formula of N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl)acetamide is C20H20N2O4S.
What is the molecular weight of N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl)acetamide?
The molecular weight of N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl)acetamide is 384.11 g/mol.
Where can I buy N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl)acetamide?
You can request a quote for N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.