RefChem:211884
TL;DR: RefChem:211884 (CAS 68310-11-2) is a chemical compound with molecular formula C50H96N2O6 and molecular weight 820.73 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-hydroxypropyl-[2-[2-hydroxypropyl(2-octadec-9-enoyloxypropyl)amino]ethyl]amino]propan-2-yl octadec-9-enoate
Also Known As: 9-Octadecenoic acid (9Z)-, 1,2-ethanediylbis[[(2-hydroxypropyl)imino](1-methyl-2,1-ethanediyl)] ester, 1,2-Ethanediylbis[[(2-hydroxypropyl)imino](1-methyl-2,1-ethanediyl)] dioleate, (Ethane-1,2-diyl)bis{[(2-hydroxypropyl)azanediyl]propane-1,2-diyl} dioctadec-9-enoate, 1,1'-(1,2-Ethanediylbis(((2-hydroxypropyl)imino)(1-methyl-2,1-ethanediyl))) di-(9Z)-9-octadecenoate, 1,1'-[1,2-Ethanediylbis[[(2-hydroxypropyl)imino](1-methyl-2,1-ethanediyl)]] di-(9Z)-9-octadecenoate
| Molecular Formula | C50H96N2O6 |
|---|---|
| Molecular Weight | 820.73 g/mol |
| LogP | 15.4 |
| Topological Polar Surface Area | 99.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 45 |
| Exact Mass | 820.72687 |
| Heavy Atoms | 58 |
| Complexity | 898.0 |
Chemical Identifiers
| CAS Number | 68310-11-2 |
|---|---|
| SMILES | CCCCCCCCC=CCCCCCCCC(=O)OC(C)CN(CCN(CC(C)O)CC(C)OC(=O)CCCCCCCC=CCCCCCCCC)CC(C)O |
| InChIKey | JLOVJSAKNJGLQY-UHFFFAOYSA-N |
Product Overview
RefChem:211884 (CAS 68310-11-2), with molecular formula C50H96N2O6 and molecular weight 820.73 g/mol. IUPAC: 1-[2-hydroxypropyl-[2-[2-hydroxypropyl(2-octadec-9-enoyloxypropyl)amino]ethyl]amino]propan-2-yl octadec-9-enoate.
Chemical Property Profile of RefChem:211884
Property Insights of RefChem:211884
The XLogP value of 15.4 indicates that RefChem:211884 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.5 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:211884. Following Lipinski's Rule of Five, RefChem:211884 has 2 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 RefChem:211884?
The CAS number of RefChem:211884 is 68310-11-2.
What is the molecular formula of RefChem:211884?
The molecular formula of RefChem:211884 is C50H96N2O6.
What is the molecular weight of RefChem:211884?
The molecular weight of RefChem:211884 is 820.73 g/mol.
Where can I buy RefChem:211884?
You can request a quote for RefChem:211884 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:211884?
Yes, KEHONG BIO provides custom synthesis services for RefChem:211884 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.