n-butanoylglucosamine
TL;DR: n-butanoylglucosamine (CAS 6857-22-3) is a chemical compound with molecular formula C30H29Cl2N3O3 and molecular weight 549.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[4-chloro-1-(3-chlorophenyl)-2,5-dioxopyrrol-3-yl]amino]-N-[2,6-di(propan-2-yl)phenyl]-4-methylbenzamide
Also Known As: n-butanoylglucosamine, 3-((4-Chloro-1-(3-chlorophenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl)amino)-N-(2,6-diisopropylphenyl)-4-methylbenzamide, 3-[[4-chloro-1-(3-chlorophenyl)-2,5-dioxopyrrol-3-yl]amino]-N-[2,6-di(propan-2-yl)phenyl]-4-methylbenzamide, 3-{[4-chloro-1-(3-chlorophenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]amino}-N-[2,6-di(propan-2-yl)phenyl]-4-methylbenzamide, 3-[[4-chloro-1-(3-chlorophenyl)-2,5-dioxo-pyrrol-3-yl]amino]-N-(2,6-dipropan-2-ylphenyl)-4-methyl-benzamide
| Molecular Formula | C30H29Cl2N3O3 |
|---|---|
| Molecular Weight | 549.16 g/mol |
| LogP | 7.58322 |
| Topological Polar Surface Area | 78.51 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 549.15857 |
| Heavy Atoms | 38 |
| Complexity | 1451.065 |
Chemical Identifiers
| CAS Number | 6857-22-3 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC=C2C(C)C)C(C)C)NC3=C(C(=O)N(C3=O)C4=CC(=CC=C4)Cl)Cl |
Product Overview
n-butanoylglucosamine (CAS 6857-22-3), with molecular formula C30H29Cl2N3O3 and molecular weight 549.16 g/mol. IUPAC: 3-[[4-chloro-1-(3-chlorophenyl)-2,5-dioxopyrrol-3-yl]amino]-N-[2,6-di(propan-2-yl)phenyl]-4-methylbenzamide.
Chemical Property Profile of n-butanoylglucosamine
Property Insights of n-butanoylglucosamine
The XLogP value of 7.58322 indicates that n-butanoylglucosamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.51 Ų falls within the moderate polarity range, balancing permeability and solubility for n-butanoylglucosamine. Following Lipinski's Rule of Five, n-butanoylglucosamine has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of n-butanoylglucosamine?
The CAS number of n-butanoylglucosamine is 6857-22-3.
What is the molecular formula of n-butanoylglucosamine?
The molecular formula of n-butanoylglucosamine is C30H29Cl2N3O3.
What is the molecular weight of n-butanoylglucosamine?
The molecular weight of n-butanoylglucosamine is 549.16 g/mol.
Where can I buy n-butanoylglucosamine?
You can request a quote for n-butanoylglucosamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for n-butanoylglucosamine?
Yes, KEHONG BIO provides custom synthesis services for n-butanoylglucosamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.