3,5-dimethoxy-4-methylbenzoic acid chloride
TL;DR: 3,5-dimethoxy-4-methylbenzoic acid chloride (CAS 345237-93-6) is a chemical compound with molecular formula C27H29N3O4 and molecular weight 459.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-methoxybenzoyl)amino]-N-[3-methyl-1-(2-methylanilino)-1-oxobutan-2-yl]benzamide
Also Known As: 3,5-dimethoxy-4-methylbenzoic acid chloride, 2-[(4-methoxybenzoyl)amino]-N-[3-methyl-1-(2-methylanilino)-1-oxobutan-2-yl]benzamide, N-(1-(o-toluidino)-3-methyl-1-oxobutan-2-yl)-2-(4-methoxybenzamido)benzamide, 2-(4-Methoxybenzamido)-N-[3-methyl-1-(2-methylanilino)-1-oxobutan-2-yl]benzamide, 2-[(4-methoxybenzoyl)amino]-N-[2-methyl-1-(2-toluidinocarbonyl)propyl]benzamide
| Molecular Formula | C27H29N3O4 |
|---|---|
| Molecular Weight | 459.22 g/mol |
| LogP | 4.64902 |
| Topological Polar Surface Area | 96.53 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 459.21582 |
| Heavy Atoms | 34 |
| Complexity | 1172.5026 |
Chemical Identifiers
| CAS Number | 345237-93-6 |
|---|---|
| SMILES | CC1=CC=CC=C1NC(=O)C(C(C)C)NC(=O)C2=CC=CC=C2NC(=O)C3=CC=C(C=C3)OC |
Product Overview
3,5-dimethoxy-4-methylbenzoic acid chloride (CAS 345237-93-6), with molecular formula C27H29N3O4 and molecular weight 459.22 g/mol. IUPAC: 2-[(4-methoxybenzoyl)amino]-N-[3-methyl-1-(2-methylanilino)-1-oxobutan-2-yl]benzamide.
Chemical Property Profile of 3,5-dimethoxy-4-methylbenzoic acid chloride
Property Insights of 3,5-dimethoxy-4-methylbenzoic acid chloride
The XLogP value of 4.64902 indicates that 3,5-dimethoxy-4-methylbenzoic acid chloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.53 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-dimethoxy-4-methylbenzoic acid chloride. Following Lipinski's Rule of Five, 3,5-dimethoxy-4-methylbenzoic acid chloride has 3 hydrogen bond donor(s) and 4 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 3,5-dimethoxy-4-methylbenzoic acid chloride?
The CAS number of 3,5-dimethoxy-4-methylbenzoic acid chloride is 345237-93-6.
What is the molecular formula of 3,5-dimethoxy-4-methylbenzoic acid chloride?
The molecular formula of 3,5-dimethoxy-4-methylbenzoic acid chloride is C27H29N3O4.
What is the molecular weight of 3,5-dimethoxy-4-methylbenzoic acid chloride?
The molecular weight of 3,5-dimethoxy-4-methylbenzoic acid chloride is 459.22 g/mol.
Where can I buy 3,5-dimethoxy-4-methylbenzoic acid chloride?
You can request a quote for 3,5-dimethoxy-4-methylbenzoic acid chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-dimethoxy-4-methylbenzoic acid chloride?
Yes, KEHONG BIO provides custom synthesis services for 3,5-dimethoxy-4-methylbenzoic acid chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.