RefChem:236271
TL;DR: RefChem:236271 (CAS 73927-67-0) is a chemical compound with molecular formula C25H30O8 and molecular weight 458.19406 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,9-dihydroxy-6-oxo-7-(pentoxymethyl)-1-pentylbenzo[b][1,4]benzodioxepine-2-carboxylic acid
Also Known As: 11H-Dibenzo(b,e)(1,4)dioxepin-7-carboxylic acid, 3,8-dihydroxy-1-pentoxymethyl-6-pentyl-11-oxo-, 3,9-dihydroxy-6-oxo-7-(pentoxymethyl)-1-pentylbenzo[b][1,4]benzodioxepine-2-carboxylic acid, 3,8-Dihydroxy-1-pentoxymethyl-6-pentyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-7-carboxylic acid, 11H-DIBENZO(b,e)(1,4)DIOXEPIN-7-CARBOXYLIC ACID, 3,8-DIHYDROXY-1-PENTOXYMETHYL-6, 11H-Dibenzo[b,e][1,4]dioxepin-7-carboxylic acid, 3,8-dihydroxy-11-oxo-6-pentyl-1-[(pentyloxy)methyl]-
Technical Specifications
| Molecular Formula | C25H30O8 |
| Molecular Weight | 458.19406 g/mol |
| XLogP | 6.2 |
| Topological Polar Surface Area (TPSA) | 123.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 458.19406 Da |
| Heavy Atoms | 33 |
| Complexity | 640.0 |
| SMILES | CCCCCC1=C(C(=CC2=C1OC3=CC(=CC(=C3C(=O)O2)COCCCCC)O)O)C(=O)O |
| InChIKey | KPZRCJGOBJJSNO-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:236271
Property Insights of RefChem:236271
The XLogP value of 6.2 indicates that RefChem:236271 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:236271. Following Lipinski's Rule of Five, RefChem:236271 has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:236271?
The CAS number of RefChem:236271 is 73927-67-0.
What is the molecular formula of RefChem:236271?
The molecular formula of RefChem:236271 is C25H30O8.
What is the molecular weight of RefChem:236271?
The molecular weight of RefChem:236271 is 458.19406 g/mol.
Where can I buy RefChem:236271?
You can request a quote for RefChem:236271 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:236271?
Yes, CoreyChem provides custom synthesis services for RefChem:236271 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.