Enrasentan
TL;DR: Enrasentan (CAS 167256-08-8) is a chemical compound with molecular formula C29H30O8 and molecular weight 506.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2R,3S)-1-(1,3-benzodioxol-5-yl)-3-[2-(2-hydroxyethoxy)-4-methoxyphenyl]-5-propoxy-2,3-dihydro-1H-indene-2-carboxylic acid
Also Known As: enrasentan, Enrasentan [INN], ENRASENTANUM, Enrasentan < Prop INN >, SB 217242
| Molecular Formula | C29H30O8 |
|---|---|
| Molecular Weight | 506.19 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 506.19406 |
| Heavy Atoms | 37 |
| Complexity | 747.0 |
Chemical Identifiers
| CAS Number | 167256-08-8 |
|---|---|
| SMILES | CCCOC1=CC2=C(C=C1)[C@@H]([C@H]([C@@H]2C3=C(C=C(C=C3)OC)OCCO)C(=O)O)C4=CC5=C(C=C4)OCO5 |
| InChIKey | GLCKXJLCYIJMRB-UPRLRBBYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Enrasentan (CAS 167256-08-8), with molecular formula C29H30O8 and molecular weight 506.19 g/mol. IUPAC: (1S,2R,3S)-1-(1,3-benzodioxol-5-yl)-3-[2-(2-hydroxyethoxy)-4-methoxyphenyl]-5-propoxy-2,3-dihydro-1H-indene-2-carboxylic acid.
Chemical Property Profile of Enrasentan
Property Insights of Enrasentan
The XLogP value of 4.6 indicates that Enrasentan is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Enrasentan. Following Lipinski's Rule of Five, Enrasentan has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Enrasentan?
The CAS number of Enrasentan is 167256-08-8.
What is the molecular formula of Enrasentan?
The molecular formula of Enrasentan is C29H30O8.
What is the molecular weight of Enrasentan?
The molecular weight of Enrasentan is 506.19 g/mol.
Where can I buy Enrasentan?
You can request a quote for Enrasentan directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Enrasentan?
Yes, KEHONG BIO provides custom synthesis services for Enrasentan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.