Ukrain
TL;DR: Ukrain (CAS 16003-66-0) is a chemical compound with molecular formula C66H75N6O18PS and molecular weight 1302.46 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Ukrain
(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 trihydroxide
Also Known As: Ukrain, ukrain compound, KST-1A1800, KST-1A1801, SID:134223965
| Molecular Formula | C66H75N6O18PS |
|---|---|
| Molecular Weight | 1302.46 g/mol |
| LogP | 6.0284 |
| Topological Polar Surface Area | 243.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 12 |
| Exact Mass | 1302.4596 |
| Heavy Atoms | 92 |
| Complexity | 2380.0 |
Chemical Identifiers
| CAS Number | 16003-66-0 |
|---|---|
| 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.[OH-].[OH-].[OH-] |
| InChIKey | KIGCDEJCMKDBHU-NIQQUOCOSA-K |
Product Overview
Ukrain (CAS 16003-66-0), with molecular formula C66H75N6O18PS and molecular weight 1302.46 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 trihydroxide.
Chemical Property Profile of Ukrain
Property Insights of Ukrain
The XLogP value of 6.0284 indicates that Ukrain is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 243.0 Ų indicates high polarity, suggesting Ukrain may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ukrain has 9 hydrogen bond donor(s) and 22 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ukrain?
The CAS number of Ukrain is 16003-66-0.
What is the molecular formula of Ukrain?
The molecular formula of Ukrain is C66H75N6O18PS.
What is the molecular weight of Ukrain?
The molecular weight of Ukrain is 1302.46 g/mol.
Where can I buy Ukrain?
You can request a quote for Ukrain directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ukrain?
Yes, KEHONG BIO provides custom synthesis services for Ukrain and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.