A-216546 free base
TL;DR: A-216546 free base (CAS 212481-66-8) is a chemical compound with molecular formula C30H48N2O6 and molecular weight 532.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3R,4S)-1-[2-(dibutylamino)-2-oxoethyl]-2-(2,2-dimethylpentyl)-4-(7-methoxy-1,3-benzodioxol-5-yl)pyrrolidine-3-carboxylic acid
Also Known As: A-216546 free base, a-216546, J1.012.527H, (2S,3R,4S)-1-[(dibutylcarbamoyl)methyl]-2-(2,2-dimethylpentyl)-4-(7-methoxy-1,3-dioxaindan-5-yl)pyrrolidine-3-carboxylic acid, (2S,3R,4S)-1-[2-(dibutylamino)-2-oxoethyl]-2-(2,2-dimethylpentyl)-4-(7-methoxy-1,3-benzodioxol-5-yl)pyrrolidine-3-carboxylic acid
| Molecular Formula | C30H48N2O6 |
|---|---|
| Molecular Weight | 532.35 g/mol |
| LogP | 5.5377 |
| Topological Polar Surface Area | 88.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 15 |
| Exact Mass | 532.35126 |
| Heavy Atoms | 38 |
| Complexity | 940.9159 |
Chemical Identifiers
| CAS Number | 212481-66-8 |
|---|---|
| SMILES | CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1CC(C)(C)CCC)C(=O)O)C2=CC3=C(C(=C2)OC)OCO3 |
Product Overview
A-216546 free base (CAS 212481-66-8), with molecular formula C30H48N2O6 and molecular weight 532.35 g/mol. IUPAC: (2S,3R,4S)-1-[2-(dibutylamino)-2-oxoethyl]-2-(2,2-dimethylpentyl)-4-(7-methoxy-1,3-benzodioxol-5-yl)pyrrolidine-3-carboxylic acid.
Chemical Property Profile of A-216546 free base
Property Insights of A-216546 free base
The XLogP value of 5.5377 indicates that A-216546 free base is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.54 Ų falls within the moderate polarity range, balancing permeability and solubility for A-216546 free base. Following Lipinski's Rule of Five, A-216546 free base has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A-216546 free base?
The CAS number of A-216546 free base is 212481-66-8.
What is the molecular formula of A-216546 free base?
The molecular formula of A-216546 free base is C30H48N2O6.
What is the molecular weight of A-216546 free base?
The molecular weight of A-216546 free base is 532.35 g/mol.
Where can I buy A-216546 free base?
You can request a quote for A-216546 free base directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A-216546 free base?
Yes, KEHONG BIO provides custom synthesis services for A-216546 free base and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.