PDSP1_001737
TL;DR: PDSP1_001737 (CAS 677009-36-8) is a chemical compound with molecular formula C28H26O9 and molecular weight 506.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-2-(1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)-4-oxo-3-[(3,4,5-trimethoxyphenyl)methyl]but-2-enoic acid
Also Known As: PDSP1_001737, PDSP2_001720, BRD-K13826399-236-01-7, 2-(Benzo[d][1,3]dioxol-5-yl)-4-(4-methoxyphenyl)-4-oxo-3-(3,4,5-trimethoxybenzyl)but-2-enoic acid
| Molecular Formula | C28H26O9 |
|---|---|
| Molecular Weight | 506.16 g/mol |
| LogP | 4.4135 |
| Topological Polar Surface Area | 109.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 506.15768 |
| Heavy Atoms | 37 |
| Complexity | 1331.5609 |
Chemical Identifiers
| CAS Number | 677009-36-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)/C(=C(/C2=CC3=C(C=C2)OCO3)\C(=O)O)/CC4=CC(=C(C(=C4)OC)OC)OC |
Product Overview
PDSP1_001737 (CAS 677009-36-8), with molecular formula C28H26O9 and molecular weight 506.16 g/mol. IUPAC: (Z)-2-(1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)-4-oxo-3-[(3,4,5-trimethoxyphenyl)methyl]but-2-enoic acid.
Chemical Property Profile of PDSP1_001737
Property Insights of PDSP1_001737
The XLogP value of 4.4135 indicates that PDSP1_001737 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.75 Ų falls within the moderate polarity range, balancing permeability and solubility for PDSP1_001737. Following Lipinski's Rule of Five, PDSP1_001737 has 1 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 PDSP1_001737?
The CAS number of PDSP1_001737 is 677009-36-8.
What is the molecular formula of PDSP1_001737?
The molecular formula of PDSP1_001737 is C28H26O9.
What is the molecular weight of PDSP1_001737?
The molecular weight of PDSP1_001737 is 506.16 g/mol.
Where can I buy PDSP1_001737?
You can request a quote for PDSP1_001737 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for PDSP1_001737?
Yes, KEHONG BIO provides custom synthesis services for PDSP1_001737 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.