艾日布林
TL;DR: 艾日布林 (CAS 253128-41-5) is a chemical compound with molecular formula C40H59NO11 and molecular weight 729.41 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
艾日布林
20-(3-amino-2-hydroxypropyl)-21-methoxy-14-methyl-8,15-dimethylidene-2,19,30,34,37,39,40,41-octaoxanonacyclo[24.9.2.13,32.13,33.16,9.112,16.018,22.029,36.031,35]hentetracontan-24-one
Also Known As: Eribulin, Eribulin [INN], NCI60_038125, ER 086526, B 1939
| Molecular Formula | C40H59NO11 |
|---|---|
| Molecular Weight | 729.41 g/mol |
| LogP | 3.438 |
| Topological Polar Surface Area | 146.39 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 4 |
| Exact Mass | 729.4088 |
| Heavy Atoms | 52 |
| Complexity | 1378.4507 |
Chemical Identifiers
| CAS Number | 253128-41-5 |
|---|---|
| SMILES | CC1CC2CCC3C(=C)CC(O3)CCC45CC6C(O4)C7C(O6)C(O5)C8C(O7)CCC(O8)CC(=O)CC9C(CC(C1=C)O2)OC(C9OC)CC(CN)O |
Product Overview
艾日布林 (CAS 253128-41-5), with molecular formula C40H59NO11 and molecular weight 729.41 g/mol. IUPAC: 20-(3-amino-2-hydroxypropyl)-21-methoxy-14-methyl-8,15-dimethylidene-2,19,30,34,37,39,40,41-octaoxanonacyclo[24.9.2.13,32.13,33.16,9.112,16.018,22.029,36.031,35]hentetracontan-24-one.
Chemical Property Profile of 艾日布林
Property Insights of 艾日布林
The XLogP value of 3.438 indicates that 艾日布林 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 146.39 Ų indicates high polarity, suggesting 艾日布林 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 艾日布林 has 2 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 艾日布林?
The CAS number of 艾日布林 is 253128-41-5.
What is the molecular formula of 艾日布林?
The molecular formula of 艾日布林 is C40H59NO11.
What is the molecular weight of 艾日布林?
The molecular weight of 艾日布林 is 729.41 g/mol.
Where can I buy 艾日布林?
You can request a quote for 艾日布林 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 艾日布林?
Yes, KEHONG BIO provides custom synthesis services for 艾日布林 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.