Atrasentan
TL;DR: Atrasentan (CAS 887625-25-4) is a chemical compound with molecular formula C29H38N2O6 and molecular weight 510.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3R,4S)-4-(1,3-benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxoethyl]-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid
Also Known As: Atrasentan, Atrasentan [INN], Xinlay, atrasentanum, Xinlay (TN)
| Molecular Formula | C29H38N2O6 |
|---|---|
| Molecular Weight | 510.27 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 88.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 12 |
| Exact Mass | 510.27298 |
| Heavy Atoms | 37 |
| Complexity | 734.0 |
| Solubility | Slightly soluble |
Chemical Identifiers
| CAS Number | 887625-25-4 |
|---|---|
| SMILES | CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1C2=CC=C(C=C2)OC)C(=O)O)C3=CC4=C(C=C3)OCO4 |
| InChIKey | MOTJMGVDPWRKOC-QPVYNBJUSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Atrasentan (CAS 887625-25-4), with molecular formula C29H38N2O6 and molecular weight 510.27 g/mol. IUPAC: (2R,3R,4S)-4-(1,3-benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxoethyl]-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid.
Chemical Property Profile of Atrasentan
Property Insights of Atrasentan
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Atrasentan. The TPSA of 88.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Atrasentan. Following Lipinski's Rule of Five, Atrasentan has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Atrasentan?
The CAS number of Atrasentan is 887625-25-4.
What is the molecular formula of Atrasentan?
The molecular formula of Atrasentan is C29H38N2O6.
What is the molecular weight of Atrasentan?
The molecular weight of Atrasentan is 510.27 g/mol.
Where can I buy Atrasentan?
You can request a quote for Atrasentan directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Atrasentan?
Yes, KEHONG BIO provides custom synthesis services for Atrasentan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.