Ukrain cation
TL;DR: Ukrain cation (CAS 732958-87-1) is a chemical compound with molecular formula C66H72N6O15PS+3 and molecular weight 1251.45 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,12S,13R)-24-[2-[bis[2-[(1S,12S,13R)-12-hydroxy-24-methyl-5,7,18,20-tetraoxa-24-azoniahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-2,4(8),9,14(22),15,17(21)-hexaen-24-yl]ethylamino]phosphinothioylamino]ethyl]-24-methyl-5,7,18,20-tetraoxa-24-azoniahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-2,4(8),9,14(22),15,17(21)-hexaen-12-ol
Also Known As: Ukrain cation, Chelidoninium, 5,5',5''-(phosphinothioylidynetris(imino-2,1-ethanediyl))tris(5-methyl-, (1,3)Benzodioxolo(5,6-c)-1,3-dioxolo(4,5-i)phenanthridinium, 13,13',13''-(phosphinothioylidynetris(imino-2,1-ethanediyl))tris(5b,6,7,12b,13,14-hexahydro-6-hydroxy-13-methyl-, (5br,5'br,5''br,6S,6's,6''s,12bs,12'bs,12''bs)-, (1S,12S,13R)-24-(2-(bis(2-((1S,12S,13R)-12-hydroxy-24-methyl-5,7,18,20-tetraoxa-24-azoniahexacyclo(11.11.0.02,10.04,8.014,22.017,21)tetracosa-2,4(8),9,14(22),15,17(21)-hexaen-24-yl)ethylamino)phosphinothioylamino)ethyl)-24-methyl-5,7,18,20-tetraoxa-24-azoniahexacyclo(11.11.0.02,10.04,8.014,22.017,21)tetracosa-2,4(8),9,14(22),15,17(21)-hexaen-12-ol, (1S,12S,13R)-24-[2-[bis[2-[(1S,12S,13R)-12-hydroxy-24-methyl-5,7,18,20-tetraoxa-24-azoniahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-2,4(8),9,14(22),15,17(21)-hexaen-24-yl]ethylamino]phosphinothioylamino]ethyl]-24-methyl-5,7,18,20-tetraoxa-24-azoniahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-2,4(8),9,14(22),15,17(21)-hexaen-12-ol
| Molecular Formula | C66H72N6O15PS+3 |
|---|---|
| Molecular Weight | 1251.45 g/mol |
| LogP | 6.2 |
| Topological Polar Surface Area | 240.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 12 |
| Exact Mass | 1251.4514 |
| Heavy Atoms | 89 |
| Complexity | 2380.0 |
Chemical Identifiers
| CAS Number | 732958-87-1 |
|---|---|
| SMILES | C[N+]1(CC2=C(C=CC3=C2OCO3)[C@@H]4[C@H]1C5=CC6=C(C=C5C[C@@H]4O)OCO6)CCNP(=S)(NCC[N+]7(CC8=C(C=CC9=C8OCO9)[C@@H]1[C@H]7C2=CC3=C(C=C2C[C@@H]1O)OCO3)C)NCC[N+]1(CC2=C(C=CC3=C2OCO3)[C@@H]2[C@H]1C1=CC3=C(C=C1C[C@@H]2O)OCO3)C |
| InChIKey | DZWOYVBKCHRHGV-OZLOOOLJSA-N |
Product Overview
Ukrain cation (CAS 732958-87-1), with molecular formula C66H72N6O15PS+3 and molecular weight 1251.45 g/mol. IUPAC: (1S,12S,13R)-24-[2-[bis[2-[(1S,12S,13R)-12-hydroxy-24-methyl-5,7,18,20-tetraoxa-24-azoniahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-2,4(8),9,14(22),15,17(21)-hexaen-24-yl]ethylamino]phosphinothioylamino]ethyl]-24-methyl-5,7,18,20-tetraoxa-24-azoniahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-2,4(8),9,14(22),15,17(21)-hexaen-12-ol.
Chemical Property Profile of Ukrain cation
Property Insights of Ukrain cation
The XLogP value of 6.2 indicates that Ukrain cation is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 240.0 Ų indicates high polarity, suggesting Ukrain cation may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ukrain cation has 6 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ukrain cation?
The CAS number of Ukrain cation is 732958-87-1.
What is the molecular formula of Ukrain cation?
The molecular formula of Ukrain cation is C66H72N6O15PS+3.
What is the molecular weight of Ukrain cation?
The molecular weight of Ukrain cation is 1251.45 g/mol.
Where can I buy Ukrain cation?
You can request a quote for Ukrain cation directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ukrain cation?
Yes, KEHONG BIO provides custom synthesis services for Ukrain cation and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.