PC-766B
TL;DR: PC-766B (CAS 108375-77-5) is a chemical compound with molecular formula C43H68O12 and molecular weight 776.47 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3E,5Z,7R,8S,9S,11Z,13Z,15S,16R)-16-[(3R,4S)-4-[(2R,4R,5S,6R)-4-[(2S,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-2-hydroxy-5-methyl-6-[(1E,3E)-penta-1,3-dienyl]oxan-2-yl]-3-hydroxypentan-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one
Also Known As: PC-766B, PC 766B, (3E,5Z,7R,8S,9S,11Z,13Z,15S,16R)-16-[(3R,4S)-4-[(2R,4R,5S,6R)-4-[(2S,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-2-hydroxy-5-methyl-6-[(1E,3E)-penta-1,3-dienyl]oxan-2-yl]-3-hydroxypentan-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one, 5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one, Oxacyclohexadeca-3,5,11,13-tetraen-2-one, 16-((1S,2R,3S)-3-((2R,4R,5S,6R)-4-((2,6-dideoxy-beta-D-arabino-hexopyranosyl)oxy)tetrahydro-2-hydroxy-5-methyl-6-((1E,3E)-1,3-pentadienyl)-2H-pyran-2-yl)-2-hydroxy-1-methylbutyl)-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-, (3Z,5E,7R,8S,9S,11E,13E,15S,16R)-
| Molecular Formula | C43H68O12 |
|---|---|
| Molecular Weight | 776.47 g/mol |
| LogP | 5.05 |
| Topological Polar Surface Area | 173.6 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 10 |
| Exact Mass | 776.47107 |
| Heavy Atoms | 55 |
| Complexity | 1405.6174 |
Chemical Identifiers
| CAS Number | 108375-77-5 |
|---|---|
| SMILES | C/C=C/C=C/[C@@H]1[C@H]([C@@H](C[C@@](O1)([C@@H](C)[C@@H](C(C)[C@@H]2[C@H](/C=C\C=C(/C[C@@H]([C@@H]([C@@H](/C=C(\C=C(/C(=O)O2)\OC)/C)C)O)C)\C)OC)O)O)O[C@@H]3C[C@H]([C@@H]([C@H](O3)C)O)O)C |
Product Overview
PC-766B (CAS 108375-77-5), with molecular formula C43H68O12 and molecular weight 776.47 g/mol. IUPAC: (3E,5Z,7R,8S,9S,11Z,13Z,15S,16R)-16-[(3R,4S)-4-[(2R,4R,5S,6R)-4-[(2S,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-2-hydroxy-5-methyl-6-[(1E,3E)-penta-1,3-dienyl]oxan-2-yl]-3-hydroxypentan-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one.
Chemical Property Profile of PC-766B
Property Insights of PC-766B
The XLogP value of 5.05 indicates that PC-766B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 173.6 Ų indicates high polarity, suggesting PC-766B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, PC-766B has 5 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of PC-766B?
The CAS number of PC-766B is 108375-77-5.
What is the molecular formula of PC-766B?
The molecular formula of PC-766B is C43H68O12.
What is the molecular weight of PC-766B?
The molecular weight of PC-766B is 776.47 g/mol.
Where can I buy PC-766B?
You can request a quote for PC-766B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for PC-766B?
Yes, KEHONG BIO provides custom synthesis services for PC-766B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.