Cycloleonurinin
TL;DR: Cycloleonurinin (CAS 135447-56-2) is a chemical compound with molecular formula C65H85N13O18 and molecular weight 1335.61 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3S,9S,12S,15S,18S,27S,30S,39S,42S,45S)-15,36-bis[(1R)-1-hydroxyethyl]-9,39,42-tris[(4-hydroxyphenyl)methyl]-27-methyl-2,8,11,14,17,23,26,29,35,38,41,44-dodecaoxo-1,7,10,13,16,22,25,28,34,37,40,43-dodecazapentacyclo[43.3.0.03,7.018,22.030,34]octatetracontan-12-yl]propanamide
Also Known As: Cycloleonurinin, N,N-dioctyl-3-oxa-pentane-1,5-amic acid, 3-((3S,9S,12S,15S,18S,27S,30S,39S,42S,45S)-15,36-bis((1R)-1-hydroxyethyl)-9,39,42-tris((4-hydroxyphenyl)methyl)-27-methyl-2,8,11,14,17,23,26,29,35,38,41,44-dodecaoxo-1,7,10,13,16,22,25,28,34,37,40,43-dodecazapentacyclo(43.3.0.03,7.018,22.030,34)octatetracontan-12-yl)propanamide
| Molecular Formula | C65H85N13O18 |
|---|---|
| Molecular Weight | 1335.61 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 458.0 Ų |
| Hydrogen Bond Donors | 14 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 11 |
| Exact Mass | 1335.6135 |
| Heavy Atoms | 96 |
| Complexity | 2830.0 |
Chemical Identifiers
| CAS Number | 135447-56-2 |
|---|---|
| SMILES | C[C@H]1C(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N3CCC[C@H]3C(=O)N4CCC[C@H]4C(=O)N[C@H](C(=O)N[C@H](C(=O)NC(C(=O)N5CCC[C@H]5C(=O)N1)[C@@H](C)O)CC6=CC=C(C=C6)O)CC7=CC=C(C=C7)O)CC8=CC=C(C=C8)O)CCC(=O)N)[C@@H](C)O |
| InChIKey | KGOVKRHETJWBCR-RBJHRMQTSA-N |
Product Overview
Cycloleonurinin (CAS 135447-56-2), with molecular formula C65H85N13O18 and molecular weight 1335.61 g/mol. IUPAC: 3-[(3S,9S,12S,15S,18S,27S,30S,39S,42S,45S)-15,36-bis[(1R)-1-hydroxyethyl]-9,39,42-tris[(4-hydroxyphenyl)methyl]-27-methyl-2,8,11,14,17,23,26,29,35,38,41,44-dodecaoxo-1,7,10,13,16,22,25,28,34,37,40,43-dodecazapentacyclo[43.3.0.03,7.018,22.030,34]octatetracontan-12-yl]propanamide.
Chemical Property Profile of Cycloleonurinin
Property Insights of Cycloleonurinin
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cycloleonurinin. The TPSA of 458.0 Ų indicates high polarity, suggesting Cycloleonurinin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cycloleonurinin has 14 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cycloleonurinin?
The CAS number of Cycloleonurinin is 135447-56-2.
What is the molecular formula of Cycloleonurinin?
The molecular formula of Cycloleonurinin is C65H85N13O18.
What is the molecular weight of Cycloleonurinin?
The molecular weight of Cycloleonurinin is 1335.61 g/mol.
Where can I buy Cycloleonurinin?
You can request a quote for Cycloleonurinin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cycloleonurinin?
Yes, KEHONG BIO provides custom synthesis services for Cycloleonurinin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.