Chir 4531
TL;DR: Chir 4531 (CAS 158198-48-2) is a chemical compound with molecular formula C36H38N4O6 and molecular weight 622.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-4-amino-N-(2-aminoacetyl)-2-[1,3-benzodioxol-5-ylmethyl-[2-(4-hydroxyphenyl)ethyl]amino]-N-(2,2-diphenylethyl)-3-oxobutanamide
Also Known As: Chir 4531, (2S)-4-amino-N-(2-aminoacetyl)-2-[1,3-benzodioxol-5-ylmethyl-[2-(4-hydroxyphenyl)ethyl]amino]-N-(2,2-diphenylethyl)-3-oxobutanamide, Glycinamide, N-(2,2-diphenylethyl)glycyl-N-(1,3-benzodioxol-5-ylmethyl)glycyl-N2-(2-(4-hydroxyphenyl)ethyl)-, (N-(2,2-Diphenylethyl)glycyl)-(N-(3,4-(methylenedioxy)benzyl)glycyl)-N-(2-(4-hydroxyphenyl)ethyl)glycinamide, N-(2,2-Diphenylethyl)glycyl-N-(1,3-benzodioxol-5-ylmethyl)glycyl-N2-(2-(4-hydroxyphenyl)ethyl)glycinamide
| Molecular Formula | C36H38N4O6 |
|---|---|
| Molecular Weight | 622.28 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 148.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 14 |
| Exact Mass | 622.2791 |
| Heavy Atoms | 46 |
| Complexity | 960.0 |
Chemical Identifiers
| CAS Number | 158198-48-2 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CN(CCC3=CC=C(C=C3)O)[C@@H](C(=O)CN)C(=O)N(CC(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)CN |
| InChIKey | GANLUHRILMMVRH-DHUJRADRSA-N |
Product Overview
Chir 4531 (CAS 158198-48-2), with molecular formula C36H38N4O6 and molecular weight 622.28 g/mol. IUPAC: (2S)-4-amino-N-(2-aminoacetyl)-2-[1,3-benzodioxol-5-ylmethyl-[2-(4-hydroxyphenyl)ethyl]amino]-N-(2,2-diphenylethyl)-3-oxobutanamide.
Chemical Property Profile of Chir 4531
Property Insights of Chir 4531
The XLogP value of 4.0 indicates that Chir 4531 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 148.0 Ų indicates high polarity, suggesting Chir 4531 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Chir 4531 has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Chir 4531?
The CAS number of Chir 4531 is 158198-48-2.
What is the molecular formula of Chir 4531?
The molecular formula of Chir 4531 is C36H38N4O6.
What is the molecular weight of Chir 4531?
The molecular weight of Chir 4531 is 622.28 g/mol.
Where can I buy Chir 4531?
You can request a quote for Chir 4531 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chir 4531?
Yes, KEHONG BIO provides custom synthesis services for Chir 4531 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.