10-beta-Carbethoxypropionylchrysarobin
TL;DR: 10-beta-Carbethoxypropionylchrysarobin (CAS 127848-71-9) is a chemical compound with molecular formula C21H20O6 and molecular weight 368.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(4,5-dihydroxy-2-methyl-10-oxo-9H-anthracen-9-yl)-4-oxobutanoate
Also Known As: 10-Bcpcb, 10-beta-Carbethoxypropionylchrysarobin, NCI60_013829, ethyl 4-(4,5-dihydroxy-2-methyl-10-oxo-9H-anthracen-9-yl)-4-oxobutanoate, 1,8-Dihydroxy-3-methyl-10-(4'-carbethoxy-1'-oxopropionyl)-9(10H)-anthracenone
| Molecular Formula | C21H20O6 |
|---|---|
| Molecular Weight | 368.13 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 368.12598 |
| Heavy Atoms | 27 |
| Complexity | 587.0 |
Chemical Identifiers
| CAS Number | 127848-71-9 |
|---|---|
| SMILES | CCOC(=O)CCC(=O)C1C2=C(C(=CC=C2)O)C(=O)C3=C1C=C(C=C3O)C |
| InChIKey | IRAGWLLQCZCTSU-UHFFFAOYSA-N |
Product Overview
10-beta-Carbethoxypropionylchrysarobin (CAS 127848-71-9), with molecular formula C21H20O6 and molecular weight 368.13 g/mol. IUPAC: ethyl 4-(4,5-dihydroxy-2-methyl-10-oxo-9H-anthracen-9-yl)-4-oxobutanoate.
Chemical Property Profile of 10-beta-Carbethoxypropionylchrysarobin
Property Insights of 10-beta-Carbethoxypropionylchrysarobin
The XLogP value of 3.1 indicates that 10-beta-Carbethoxypropionylchrysarobin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 10-beta-Carbethoxypropionylchrysarobin. Following Lipinski's Rule of Five, 10-beta-Carbethoxypropionylchrysarobin has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 10-beta-Carbethoxypropionylchrysarobin?
The CAS number of 10-beta-Carbethoxypropionylchrysarobin is 127848-71-9.
What is the molecular formula of 10-beta-Carbethoxypropionylchrysarobin?
The molecular formula of 10-beta-Carbethoxypropionylchrysarobin is C21H20O6.
What is the molecular weight of 10-beta-Carbethoxypropionylchrysarobin?
The molecular weight of 10-beta-Carbethoxypropionylchrysarobin is 368.13 g/mol.
Where can I buy 10-beta-Carbethoxypropionylchrysarobin?
You can request a quote for 10-beta-Carbethoxypropionylchrysarobin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 10-beta-Carbethoxypropionylchrysarobin?
Yes, KEHONG BIO provides custom synthesis services for 10-beta-Carbethoxypropionylchrysarobin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.