![N-[2-(1,3-Benzodioxol-5-ylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-[(2-fluorophenyl)methyl]-1H-benzotriazole-1-acetamide structure](/static/products/1044/1044511-31-0.webp)
N-[2-(1,3-Benzodioxol-5-ylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-[(2-fluorophenyl)methyl]-1H-benzotriazole-1-acetamide
TL;DR: N-[2-(1,3-Benzodioxol-5-ylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-[(2-fluorophenyl)methyl]-1H-benzotriazole-1-acetamide (CAS 1044511-31-0) is a chemical compound with molecular formula C31H26FN5O5 and molecular weight 567.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-yl)-2-[[2-(benzotriazol-1-yl)acetyl]-[(2-fluorophenyl)methyl]amino]-2-(4-methoxyphenyl)acetamide
Also Known As: N-[2-(1,3-Benzodioxol-5-ylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-[(2-fluorophenyl)methyl]-1H-benzotriazole-1-acetamide, N-(1,3-benzodioxol-5-yl)-2-[[2-(benzotriazol-1-yl)acetyl]-[(2-fluorophenyl)methyl]amino]-2-(4-methoxyphenyl)acetamide, N-[2-(1,3-benzodioxol-5-ylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-2-(1H-benzotriazol-1-yl)-N-(2-fluorobenzyl)acetamide
| Molecular Formula | C31H26FN5O5 |
|---|---|
| Molecular Weight | 567.19 g/mol |
| LogP | 4.7165 |
| Topological Polar Surface Area | 107.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 567.1918 |
| Heavy Atoms | 42 |
| Complexity | 1756.7688 |
Chemical Identifiers
| CAS Number | 1044511-31-0 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(C(=O)NC2=CC3=C(C=C2)OCO3)N(CC4=CC=CC=C4F)C(=O)CN5C6=CC=CC=C6N=N5 |
Product Overview
N-[2-(1,3-Benzodioxol-5-ylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-[(2-fluorophenyl)methyl]-1H-benzotriazole-1-acetamide (CAS 1044511-31-0), with molecular formula C31H26FN5O5 and molecular weight 567.19 g/mol. IUPAC: N-(1,3-benzodioxol-5-yl)-2-[[2-(benzotriazol-1-yl)acetyl]-[(2-fluorophenyl)methyl]amino]-2-(4-methoxyphenyl)acetamide.
Chemical Property Profile of N-[2-(1,3-Benzodioxol-5-ylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-[(2-fluorophenyl)methyl]-1H-benzotriazole-1-acetamide
Property Insights of N-[2-(1,3-Benzodioxol-5-ylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-[(2-fluorophenyl)methyl]-1H-benzotriazole-1-acetamide
The XLogP value of 4.7165 indicates that N-[2-(1,3-Benzodioxol-5-ylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-[(2-fluorophenyl)methyl]-1H-benzotriazole-1-acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.81 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[2-(1,3-Benzodioxol-5-ylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-[(2-fluorophenyl)methyl]-1H-benzotriazole-1-acetamide. Following Lipinski's Rule of Five, N-[2-(1,3-Benzodioxol-5-ylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-[(2-fluorophenyl)methyl]-1H-benzotriazole-1-acetamide has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-[2-(1,3-Benzodioxol-5-ylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-[(2-fluorophenyl)methyl]-1H-benzotriazole-1-acetamide?
The CAS number of N-[2-(1,3-Benzodioxol-5-ylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-[(2-fluorophenyl)methyl]-1H-benzotriazole-1-acetamide is 1044511-31-0.
What is the molecular formula of N-[2-(1,3-Benzodioxol-5-ylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-[(2-fluorophenyl)methyl]-1H-benzotriazole-1-acetamide?
The molecular formula of N-[2-(1,3-Benzodioxol-5-ylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-[(2-fluorophenyl)methyl]-1H-benzotriazole-1-acetamide is C31H26FN5O5.
What is the molecular weight of N-[2-(1,3-Benzodioxol-5-ylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-[(2-fluorophenyl)methyl]-1H-benzotriazole-1-acetamide?
The molecular weight of N-[2-(1,3-Benzodioxol-5-ylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-[(2-fluorophenyl)methyl]-1H-benzotriazole-1-acetamide is 567.19 g/mol.
Where can I buy N-[2-(1,3-Benzodioxol-5-ylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-[(2-fluorophenyl)methyl]-1H-benzotriazole-1-acetamide?
You can request a quote for N-[2-(1,3-Benzodioxol-5-ylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-[(2-fluorophenyl)methyl]-1H-benzotriazole-1-acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[2-(1,3-Benzodioxol-5-ylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-[(2-fluorophenyl)methyl]-1H-benzotriazole-1-acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-[2-(1,3-Benzodioxol-5-ylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-[(2-fluorophenyl)methyl]-1H-benzotriazole-1-acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.