1,4,5-三脱氧-1,4-亚氨基-5-(4-甲氧基苯基)-D-木糖醇-3-乙酸酯
TL;DR: 1,4,5-三脱氧-1,4-亚氨基-5-(4-甲氧基苯基)-D-木糖醇-3-乙酸酯 (CAS 22862-76-6) is a chemical compound with molecular formula C14H19NO4 and molecular weight 265.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4,5-三脱氧-1,4-亚氨基-5-(4-甲氧基苯基)-D-木糖醇-3-乙酸酯
[4-hydroxy-2-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl] acetate
Also Known As: anisomycin, Flagecidin, (-)-Anisomycin, Upjohn 204t3, Antibiotic PA-106
| Molecular Formula | C14H19NO4 |
|---|---|
| Molecular Weight | 265.13 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 67.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 265.1314 |
| Heavy Atoms | 19 |
| Complexity | 302.0 |
Chemical Identifiers
| CAS Number | 22862-76-6 |
|---|---|
| SMILES | CC(=O)OC1C(CNC1CC2=CC=C(C=C2)OC)O |
| InChIKey | YKJYKKNCCRKFSL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4,5-三脱氧-1,4-亚氨基-5-(4-甲氧基苯基)-D-木糖醇-3-乙酸酯 (CAS 22862-76-6), with molecular formula C14H19NO4 and molecular weight 265.13 g/mol. IUPAC: [4-hydroxy-2-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl] acetate.
Chemical Property Profile of 1,4,5-三脱氧-1,4-亚氨基-5-(4-甲氧基苯基)-D-木糖醇-3-乙酸酯
Property Insights of 1,4,5-三脱氧-1,4-亚氨基-5-(4-甲氧基苯基)-D-木糖醇-3-乙酸酯
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4,5-三脱氧-1,4-亚氨基-5-(4-甲氧基苯基)-D-木糖醇-3-乙酸酯. The TPSA of 67.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4,5-三脱氧-1,4-亚氨基-5-(4-甲氧基苯基)-D-木糖醇-3-乙酸酯. Following Lipinski's Rule of Five, 1,4,5-三脱氧-1,4-亚氨基-5-(4-甲氧基苯基)-D-木糖醇-3-乙酸酯 has 2 hydrogen bond donor(s) and 5 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 1,4,5-三脱氧-1,4-亚氨基-5-(4-甲氧基苯基)-D-木糖醇-3-乙酸酯?
The CAS number of 1,4,5-三脱氧-1,4-亚氨基-5-(4-甲氧基苯基)-D-木糖醇-3-乙酸酯 is 22862-76-6.
What is the molecular formula of 1,4,5-三脱氧-1,4-亚氨基-5-(4-甲氧基苯基)-D-木糖醇-3-乙酸酯?
The molecular formula of 1,4,5-三脱氧-1,4-亚氨基-5-(4-甲氧基苯基)-D-木糖醇-3-乙酸酯 is C14H19NO4.
What is the molecular weight of 1,4,5-三脱氧-1,4-亚氨基-5-(4-甲氧基苯基)-D-木糖醇-3-乙酸酯?
The molecular weight of 1,4,5-三脱氧-1,4-亚氨基-5-(4-甲氧基苯基)-D-木糖醇-3-乙酸酯 is 265.13 g/mol.
Where can I buy 1,4,5-三脱氧-1,4-亚氨基-5-(4-甲氧基苯基)-D-木糖醇-3-乙酸酯?
You can request a quote for 1,4,5-三脱氧-1,4-亚氨基-5-(4-甲氧基苯基)-D-木糖醇-3-乙酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4,5-三脱氧-1,4-亚氨基-5-(4-甲氧基苯基)-D-木糖醇-3-乙酸酯?
Yes, KEHONG BIO provides custom synthesis services for 1,4,5-三脱氧-1,4-亚氨基-5-(4-甲氧基苯基)-D-木糖醇-3-乙酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.