Compound NP-017512
TL;DR: Compound NP-017512 (CAS 210046-65-4) is a chemical compound with molecular formula C33H42O10 and molecular weight 598.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,2R,3R,4S,5S,7R,8R,9S,10S,14S)-2,8,14-triacetyloxy-7-hydroxy-1,5,9,12,12-pentamethyl-13-oxo-4-tetracyclo[7.6.0.03,7.010,14]pentadecanyl] benzoate
Also Known As: Compound NP-017512, NCI60_031835, (triacetoxy-hydroxy-pentamethyl-oxo-[?]yl) benzoate, 5,8,14-Triacetoxy-3-benzoyloxy-15-hydroxy-9-oxoparaliane, (3aS)-4aalpha-Hydroxy-4beta,8beta,9aalpha-triacetoxy-7alpha-(benzoyloxy)-2,2,3bbeta,6alpha,8abeta-pentamethyl-2,3,3aalpha,3b,4,4a,5,6,7,7abeta,8,8a,9,9a-tetradecahydro-1H-cyclopenta[a]-s-indacene-1-one
| Molecular Formula | C33H42O10 |
|---|---|
| Molecular Weight | 598.28 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 143.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 598.2778 |
| Heavy Atoms | 43 |
| Complexity | 1220.0 |
Chemical Identifiers
| CAS Number | 210046-65-4 |
|---|---|
| SMILES | C[C@H]1C[C@]2([C@H]([C@H]1OC(=O)C3=CC=CC=C3)[C@H]([C@@]4(C[C@@]5([C@H]([C@@]4([C@H]2OC(=O)C)C)CC(C5=O)(C)C)OC(=O)C)C)OC(=O)C)O |
| InChIKey | IEQTVHJLWRGNIY-ANWQMKQLSA-N |
Product Overview
Compound NP-017512 (CAS 210046-65-4), with molecular formula C33H42O10 and molecular weight 598.28 g/mol. IUPAC: [(1R,2R,3R,4S,5S,7R,8R,9S,10S,14S)-2,8,14-triacetyloxy-7-hydroxy-1,5,9,12,12-pentamethyl-13-oxo-4-tetracyclo[7.6.0.03,7.010,14]pentadecanyl] benzoate.
Chemical Property Profile of Compound NP-017512
Property Insights of Compound NP-017512
The XLogP value of 4.2 indicates that Compound NP-017512 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 143.0 Ų indicates high polarity, suggesting Compound NP-017512 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Compound NP-017512 has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Compound NP-017512?
The CAS number of Compound NP-017512 is 210046-65-4.
What is the molecular formula of Compound NP-017512?
The molecular formula of Compound NP-017512 is C33H42O10.
What is the molecular weight of Compound NP-017512?
The molecular weight of Compound NP-017512 is 598.28 g/mol.
Where can I buy Compound NP-017512?
You can request a quote for Compound NP-017512 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Compound NP-017512?
Yes, KEHONG BIO provides custom synthesis services for Compound NP-017512 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.