C47H91N5O4
TL;DR: C47H91N5O4 (CAS 73791-65-8) is a chemical compound with molecular formula C46H89N5O4 and molecular weight 775.69 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-[2-(heptadec-9-enoylamino)ethylamino]ethyl-[2-[2-(octadec-9-enoylamino)ethylamino]ethyl]amino]propanoic acid
Also Known As: .beta.-Alanine, N,N-bis[2-[[2-[(1-oxo-9-octadecenyl)amino]ethyl]amino]ethyl]-, (Z,Z)-, .beta.-Alanine, N,N-bis[2-[[2-[[(9Z)-1-oxo-9-octadecenyl]amino]ethyl]amino]ethyl]-, beta-Alanine, N,N-bis(2-((2-(((9Z)-1-oxo-9-octadecen-1-yl)amino)ethyl)amino)ethyl)-, beta-Alanine, N,N-bis(2-((2-(((9Z)-1-oxo-9-octadecenyl)amino)ethyl)amino)ethyl)-
| Molecular Formula | C46H89N5O4 |
|---|---|
| Molecular Weight | 775.69 g/mol |
| LogP | 9.8596 |
| Topological Polar Surface Area | 122.8 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 44 |
| Exact Mass | 775.69147 |
| Heavy Atoms | 55 |
| Complexity | 912.7505 |
Chemical Identifiers
| CAS Number | 73791-65-8 |
|---|---|
| SMILES | CCCCCCCCC=CCCCCCCCC(=O)NCCNCCN(CCC(=O)O)CCNCCNC(=O)CCCCCCCC=CCCCCCCC |
Product Overview
C47H91N5O4 (CAS 73791-65-8), with molecular formula C46H89N5O4 and molecular weight 775.69 g/mol. IUPAC: 3-[2-[2-(heptadec-9-enoylamino)ethylamino]ethyl-[2-[2-(octadec-9-enoylamino)ethylamino]ethyl]amino]propanoic acid.
Chemical Property Profile of C47H91N5O4
Property Insights of C47H91N5O4
The XLogP value of 9.8596 indicates that C47H91N5O4 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.8 Ų falls within the moderate polarity range, balancing permeability and solubility for C47H91N5O4. Following Lipinski's Rule of Five, C47H91N5O4 has 5 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C47H91N5O4?
The CAS number of C47H91N5O4 is 73791-65-8.
What is the molecular formula of C47H91N5O4?
The molecular formula of C47H91N5O4 is C46H89N5O4.
What is the molecular weight of C47H91N5O4?
The molecular weight of C47H91N5O4 is 775.69 g/mol.
Where can I buy C47H91N5O4?
You can request a quote for C47H91N5O4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C47H91N5O4?
Yes, KEHONG BIO provides custom synthesis services for C47H91N5O4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.