RefChem:931354
TL;DR: RefChem:931354 (CAS 157659-79-5) is a chemical compound with molecular formula C29H28O9 and molecular weight 520.17 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-(carboxymethoxy)-4-methoxyphenyl]-5-propoxy-2,3-dihydro-1H-indene-2-carboxylic acid
Also Known As: SB 209670, PDSP2_001717, 2,4-dichloro-3-methylacetophenone, SKB 209670, S-205
| Molecular Formula | C29H28O9 |
|---|---|
| Molecular Weight | 520.17 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 520.17334 |
| Heavy Atoms | 38 |
| Complexity | 820.0 |
Chemical Identifiers
| CAS Number | 157659-79-5 |
|---|---|
| SMILES | CCCOC1=CC2=C(C=C1)[C@@H]([C@H]([C@@H]2C3=C(C=C(C=C3)OC)OCC(=O)O)C(=O)O)C4=CC5=C(C=C4)OCO5 |
| InChIKey | UUAVCCWBNUITBB-UPRLRBBYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:931354 (CAS 157659-79-5), with molecular formula C29H28O9 and molecular weight 520.17 g/mol. IUPAC: (1S,2R,3S)-1-(1,3-benzodioxol-5-yl)-3-[2-(carboxymethoxy)-4-methoxyphenyl]-5-propoxy-2,3-dihydro-1H-indene-2-carboxylic acid.
Chemical Property Profile of RefChem:931354
Property Insights of RefChem:931354
The XLogP value of 4.9 indicates that RefChem:931354 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:931354. Following Lipinski's Rule of Five, RefChem:931354 has 2 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 RefChem:931354?
The CAS number of RefChem:931354 is 157659-79-5.
What is the molecular formula of RefChem:931354?
The molecular formula of RefChem:931354 is C29H28O9.
What is the molecular weight of RefChem:931354?
The molecular weight of RefChem:931354 is 520.17 g/mol.
Where can I buy RefChem:931354?
You can request a quote for RefChem:931354 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:931354?
Yes, KEHONG BIO provides custom synthesis services for RefChem:931354 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.