N-(N- -3- -4- butyricacid
TL;DR: N-(N- -3- -4- butyricacid (CAS 71455-71-5) is a chemical compound with molecular formula C29H31ClN2O5 and molecular weight 522.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[N-[3-(N-(4-chlorobenzoyl)-2,6-dimethylanilino)propanoyl]-4-methoxyanilino]butanoic acid
Also Known As: N-(N- -3- -4- butyricacid, Butanoic acid, 4-((3-((4-chlorobenzoyl)(2,6-dimethylphenyl)amino)-1-oxopropyl)(4-methoxyphenyl)amino)-, N-(N-(p-Chlorobenzoyl)-3-(2,6-dimethylanilino)propionyl)-4-(p-anisidino)butyric acid, 4-[N-[3-(N-(4-chlorobenzoyl)-2,6-dimethylanilino)propanoyl]-4-methoxyanilino]butanoic acid, 4-{[N-(4-Chlorobenzoyl)-N-(2,6-dimethylphenyl)-beta-alanyl](4-methoxyphenyl)amino}butanoic acid
| Molecular Formula | C29H31ClN2O5 |
|---|---|
| Molecular Weight | 522.19 g/mol |
| LogP | 5.90034 |
| Topological Polar Surface Area | 87.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 522.19214 |
| Heavy Atoms | 37 |
| Complexity | 1221.9067 |
Chemical Identifiers
| CAS Number | 71455-71-5 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)N(CCC(=O)N(CCCC(=O)O)C2=CC=C(C=C2)OC)C(=O)C3=CC=C(C=C3)Cl |
Product Overview
N-(N- -3- -4- butyricacid (CAS 71455-71-5), with molecular formula C29H31ClN2O5 and molecular weight 522.19 g/mol. IUPAC: 4-[N-[3-(N-(4-chlorobenzoyl)-2,6-dimethylanilino)propanoyl]-4-methoxyanilino]butanoic acid.
Chemical Property Profile of N-(N- -3- -4- butyricacid
Property Insights of N-(N- -3- -4- butyricacid
The XLogP value of 5.90034 indicates that N-(N- -3- -4- butyricacid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.15 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(N- -3- -4- butyricacid. Following Lipinski's Rule of Five, N-(N- -3- -4- butyricacid has 1 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-(N- -3- -4- butyricacid?
The CAS number of N-(N- -3- -4- butyricacid is 71455-71-5.
What is the molecular formula of N-(N- -3- -4- butyricacid?
The molecular formula of N-(N- -3- -4- butyricacid is C29H31ClN2O5.
What is the molecular weight of N-(N- -3- -4- butyricacid?
The molecular weight of N-(N- -3- -4- butyricacid is 522.19 g/mol.
Where can I buy N-(N- -3- -4- butyricacid?
You can request a quote for N-(N- -3- -4- butyricacid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(N- -3- -4- butyricacid?
Yes, KEHONG BIO provides custom synthesis services for N-(N- -3- -4- butyricacid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.