![(4-Bromophenyl)methyl N-[4-(morpholine-4-sulfonyl)-2-nitrophenyl]valinate structure](/static/products/5423/5423-13-2.webp)
(4-Bromophenyl)methyl N-[4-(morpholine-4-sulfonyl)-2-nitrophenyl]valinate
TL;DR: (4-Bromophenyl)methyl N-[4-(morpholine-4-sulfonyl)-2-nitrophenyl]valinate (CAS 5423-13-2) is a chemical compound with molecular formula C22H26BrN3O7S and molecular weight 555.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-bromophenyl)methyl 3-methyl-2-(4-morpholin-4-ylsulfonyl-2-nitroanilino)butanoate
Also Known As: (4-Bromophenyl)methyl N-[4-(morpholine-4-sulfonyl)-2-nitrophenyl]valinate, (4-bromophenyl)methyl 3-methyl-2-(4-morpholin-4-ylsulfonyl-2-nitroanilino)butanoate, (4-bromophenyl)methyl 3-methyl-2-[(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)amino]butanoate
| Molecular Formula | C22H26BrN3O7S |
|---|---|
| Molecular Weight | 555.07 g/mol |
| LogP | 3.5581 |
| Topological Polar Surface Area | 128.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 555.0675 |
| Heavy Atoms | 34 |
| Complexity | 1133.6873 |
Chemical Identifiers
| CAS Number | 5423-13-2 |
|---|---|
| SMILES | CC(C)C(C(=O)OCC1=CC=C(C=C1)Br)NC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-] |
Product Overview
(4-Bromophenyl)methyl N-[4-(morpholine-4-sulfonyl)-2-nitrophenyl]valinate (CAS 5423-13-2), with molecular formula C22H26BrN3O7S and molecular weight 555.07 g/mol. IUPAC: (4-bromophenyl)methyl 3-methyl-2-(4-morpholin-4-ylsulfonyl-2-nitroanilino)butanoate.
Chemical Property Profile of (4-Bromophenyl)methyl N-[4-(morpholine-4-sulfonyl)-2-nitrophenyl]valinate
Property Insights of (4-Bromophenyl)methyl N-[4-(morpholine-4-sulfonyl)-2-nitrophenyl]valinate
The XLogP value of 3.5581 indicates that (4-Bromophenyl)methyl N-[4-(morpholine-4-sulfonyl)-2-nitrophenyl]valinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 128.08 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Bromophenyl)methyl N-[4-(morpholine-4-sulfonyl)-2-nitrophenyl]valinate. Following Lipinski's Rule of Five, (4-Bromophenyl)methyl N-[4-(morpholine-4-sulfonyl)-2-nitrophenyl]valinate has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (4-Bromophenyl)methyl N-[4-(morpholine-4-sulfonyl)-2-nitrophenyl]valinate?
The CAS number of (4-Bromophenyl)methyl N-[4-(morpholine-4-sulfonyl)-2-nitrophenyl]valinate is 5423-13-2.
What is the molecular formula of (4-Bromophenyl)methyl N-[4-(morpholine-4-sulfonyl)-2-nitrophenyl]valinate?
The molecular formula of (4-Bromophenyl)methyl N-[4-(morpholine-4-sulfonyl)-2-nitrophenyl]valinate is C22H26BrN3O7S.
What is the molecular weight of (4-Bromophenyl)methyl N-[4-(morpholine-4-sulfonyl)-2-nitrophenyl]valinate?
The molecular weight of (4-Bromophenyl)methyl N-[4-(morpholine-4-sulfonyl)-2-nitrophenyl]valinate is 555.07 g/mol.
Where can I buy (4-Bromophenyl)methyl N-[4-(morpholine-4-sulfonyl)-2-nitrophenyl]valinate?
You can request a quote for (4-Bromophenyl)methyl N-[4-(morpholine-4-sulfonyl)-2-nitrophenyl]valinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Bromophenyl)methyl N-[4-(morpholine-4-sulfonyl)-2-nitrophenyl]valinate?
Yes, KEHONG BIO provides custom synthesis services for (4-Bromophenyl)methyl N-[4-(morpholine-4-sulfonyl)-2-nitrophenyl]valinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.