3-乙酰基-6-甲氧基苯甲醛
TL;DR: 3-乙酰基-6-甲氧基苯甲醛 (CAS 531-99-7) is a chemical compound with molecular formula C26H46N2O8 and molecular weight 514.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-乙酰基-6-甲氧基苯甲醛
7,14-diheptyl-3,10-bis(hydroxymethyl)-1,8-dioxa-4,11-diazacyclotetradecane-2,5,9,12-tetrone
Also Known As: Serratomolide, Serratamolide, Serrawettin W1, serratamolide A, Serrawettin W-1
| Molecular Formula | C26H46N2O8 |
|---|---|
| Molecular Weight | 514.33 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 151.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 14 |
| Exact Mass | 514.32544 |
| Heavy Atoms | 36 |
| Complexity | 616.0 |
Chemical Identifiers
| CAS Number | 531-99-7 |
|---|---|
| SMILES | CCCCCCCC1CC(=O)NC(C(=O)OC(CC(=O)NC(C(=O)O1)CO)CCCCCCC)CO |
| InChIKey | NMEMNUVHBNAERZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-乙酰基-6-甲氧基苯甲醛 (CAS 531-99-7), with molecular formula C26H46N2O8 and molecular weight 514.33 g/mol. IUPAC: 7,14-diheptyl-3,10-bis(hydroxymethyl)-1,8-dioxa-4,11-diazacyclotetradecane-2,5,9,12-tetrone.
Chemical Property Profile of 3-乙酰基-6-甲氧基苯甲醛
Property Insights of 3-乙酰基-6-甲氧基苯甲醛
The XLogP value of 5.1 indicates that 3-乙酰基-6-甲氧基苯甲醛 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 151.0 Ų indicates high polarity, suggesting 3-乙酰基-6-甲氧基苯甲醛 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-乙酰基-6-甲氧基苯甲醛 has 4 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 3-乙酰基-6-甲氧基苯甲醛?
The CAS number of 3-乙酰基-6-甲氧基苯甲醛 is 531-99-7.
What is the molecular formula of 3-乙酰基-6-甲氧基苯甲醛?
The molecular formula of 3-乙酰基-6-甲氧基苯甲醛 is C26H46N2O8.
What is the molecular weight of 3-乙酰基-6-甲氧基苯甲醛?
The molecular weight of 3-乙酰基-6-甲氧基苯甲醛 is 514.33 g/mol.
Where can I buy 3-乙酰基-6-甲氧基苯甲醛?
You can request a quote for 3-乙酰基-6-甲氧基苯甲醛 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-乙酰基-6-甲氧基苯甲醛?
Yes, KEHONG BIO provides custom synthesis services for 3-乙酰基-6-甲氧基苯甲醛 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.