Ulapualide B
TL;DR: Ulapualide B (CAS 100045-74-7) is a chemical compound with molecular formula C51H74N4O16 and molecular weight 998.51 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-4-acetyloxy-1-[formyl(methyl)amino]-11-[(24Z)-16-hydroxy-22-methoxy-10,21-dimethyl-12,18-dioxo-3,7,19,27-tetraoxa-29,30,31-triazatetracyclo[24.2.1.12,5.16,9]hentriaconta-1(28),2(31),4,6(30),8,24,26(29)-heptaen-20-yl]-10-methoxy-3,5,9-trimethylundec-1-en-6-yl] 2,3-dimethoxypropanoate
Also Known As: Ulapualide B, [(E)-4-acetyloxy-1-[formyl(methyl)amino]-11-[(24Z)-16-hydroxy-22-methoxy-10,21-dimethyl-12,18-dioxo-3,7,19,27-tetraoxa-29,30,31-triazatetracyclo[24.2.1.12,5.16,9]hentriaconta-1(28),2(31),4,6(30),8,24,26(29)-heptaen-20-yl]-10-methoxy-3,5,9-trimethylundec-1-en-6-yl] 2,3-dimethoxypropanoate, 4-O-Acetyl-21-O-de(aminocarbonyl)-27-demethoxy-4-O,23,26-tridemethyl-6-deoxo-25-deoxy-6-(2,3-dimetho, Kabiramide C,O(4)-acetyl-O(21)-de(aminocarbonyl)-27-demethoxy-O(4),23,26-tridemethyl-25-deoxy-27-methyl-25-oxo
| Molecular Formula | C51H74N4O16 |
|---|---|
| Molecular Weight | 998.51 g/mol |
| LogP | 7.1488 |
| Topological Polar Surface Area | 251.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 20 |
| Exact Mass | 998.51 |
| Heavy Atoms | 71 |
| Complexity | 2182.4343 |
Chemical Identifiers
| CAS Number | 100045-74-7 |
|---|---|
| SMILES | CC1CC(=O)CCCC(CC(=O)OC(C(C(C/C=C\C2=NC(=CO2)C3=NC(=CO3)C4=NC1=CO4)OC)C)CC(C(C)CCC(C(C)C(C(C)/C=C/N(C)C=O)OC(=O)C)OC(=O)C(COC)OC)OC)O |
Product Overview
Ulapualide B (CAS 100045-74-7), with molecular formula C51H74N4O16 and molecular weight 998.51 g/mol. IUPAC: [(E)-4-acetyloxy-1-[formyl(methyl)amino]-11-[(24Z)-16-hydroxy-22-methoxy-10,21-dimethyl-12,18-dioxo-3,7,19,27-tetraoxa-29,30,31-triazatetracyclo[24.2.1.12,5.16,9]hentriaconta-1(28),2(31),4,6(30),8,24,26(29)-heptaen-20-yl]-10-methoxy-3,5,9-trimethylundec-1-en-6-yl] 2,3-dimethoxypropanoate.
Chemical Property Profile of Ulapualide B
Property Insights of Ulapualide B
The XLogP value of 7.1488 indicates that Ulapualide B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 251.52 Ų indicates high polarity, suggesting Ulapualide B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ulapualide B has 1 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 Ulapualide B?
The CAS number of Ulapualide B is 100045-74-7.
What is the molecular formula of Ulapualide B?
The molecular formula of Ulapualide B is C51H74N4O16.
What is the molecular weight of Ulapualide B?
The molecular weight of Ulapualide B is 998.51 g/mol.
Where can I buy Ulapualide B?
You can request a quote for Ulapualide B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ulapualide B?
Yes, KEHONG BIO provides custom synthesis services for Ulapualide B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.