Prorocentrolide
TL;DR: Prorocentrolide (CAS 117120-34-0) is a chemical compound with molecular formula C56H85NO13 and molecular weight 979.60 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(10E,12E,23E,47E)-14,18,19,22,31,33,40,41-octahydroxy-2,11,23,47,50-pentamethyl-35-methylidene-26,53,54,55-tetraoxa-6-azaheptacyclo[23.21.5.13,45.117,21.129,32.139,43.02,7]pentapentaconta-6,10,12,23,45,47-hexaen-27-one
Also Known As: Prorocentrolide, (10E,12E,23E,47E)-14,18,19,22,31,33,40,41-octahydroxy-2,11,23,47,50-pentamethyl-35-methylidene-26,53,54,55-tetraoxa-6-azaheptacyclo[23.21.5.13,45.117,21.129,32.139,43.02,7]pentapentaconta-6,10,12,23,45,47-hexaen-27-one, 9,13:20,23:31,35-Triepoxy-4,7-methano-5,27-(1)penteno-25H-oxacyclodotetracontino(20,21-b)pyridin-25-one, 2,3,4,4a,5,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,27,30,31,32,33,34,35,36,37,38,43,44-tetratriacontahydro-11,12,19,21,30,33,34,38-octahydroxy-4a,29,41,47,50-pentamethyl-17-methylene-, (10E,12E,23E,47E)-14,18,19,22,31,33,40,41-octahydroxy-2,11,23,47,50-pentamethyl-35-methylidene-26,53,54,55-tetraoxa-6-azaheptacyclo(23.21.5.13,45.117,21.129,32.139,43.02,7)pentapentaconta-6,10,12,23,45,47-hexaen-27-one
| Molecular Formula | C56H85NO13 |
|---|---|
| Molecular Weight | 979.60 g/mol |
| LogP | 5.9672 |
| Topological Polar Surface Area | 228.19 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 0 |
| Exact Mass | 979.6021 |
| Heavy Atoms | 70 |
| Complexity | 1992.7979 |
Chemical Identifiers
| CAS Number | 117120-34-0 |
|---|---|
| SMILES | CC1C/C=C(/C2C=C3CC4C2(C(=NCC4)CC/C=C(/C=C/C(CCC5C(C(CC(O5)C(/C(=C/C(C1)OC(=O)CC6CC(C(O6)C(CC(=C)CCCC7C(C(CC(C3)O7)O)O)O)O)/C)O)O)O)O)\C)C)\C |
Product Overview
Prorocentrolide (CAS 117120-34-0), with molecular formula C56H85NO13 and molecular weight 979.60 g/mol. IUPAC: (10E,12E,23E,47E)-14,18,19,22,31,33,40,41-octahydroxy-2,11,23,47,50-pentamethyl-35-methylidene-26,53,54,55-tetraoxa-6-azaheptacyclo[23.21.5.13,45.117,21.129,32.139,43.02,7]pentapentaconta-6,10,12,23,45,47-hexaen-27-one.
Chemical Property Profile of Prorocentrolide
Property Insights of Prorocentrolide
The XLogP value of 5.9672 indicates that Prorocentrolide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 228.19 Ų indicates high polarity, suggesting Prorocentrolide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Prorocentrolide has 8 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Prorocentrolide?
The CAS number of Prorocentrolide is 117120-34-0.
What is the molecular formula of Prorocentrolide?
The molecular formula of Prorocentrolide is C56H85NO13.
What is the molecular weight of Prorocentrolide?
The molecular weight of Prorocentrolide is 979.60 g/mol.
Where can I buy Prorocentrolide?
You can request a quote for Prorocentrolide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Prorocentrolide?
Yes, KEHONG BIO provides custom synthesis services for Prorocentrolide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.