Isospinasterol, P-nitrobenzoate
TL;DR: Isospinasterol, P-nitrobenzoate (CAS 7505-35-3) is a chemical compound with molecular formula C34H47NO4 and molecular weight 533.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[10,13-dimethyl-17-[(E)-6-methylhept-3-en-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 4-nitrobenzoate
Also Known As: ISOSPINASTEROL, P-NITROBENZOATE, (22E)-Cholesta-5,22-dien-3-yl 4-nitrobenzoate, [10,13-dimethyl-17-[(E)-6-methylhept-3-en-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 4-nitrobenzoate
| Molecular Formula | C34H47NO4 |
|---|---|
| Molecular Weight | 533.35 g/mol |
| LogP | 8.9376 |
| Topological Polar Surface Area | 69.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 533.3505 |
| Heavy Atoms | 39 |
| Complexity | 1136.3542 |
Chemical Identifiers
| CAS Number | 7505-35-3 |
|---|---|
| SMILES | CC(C)C/C=C/C(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C5=CC=C(C=C5)[N+](=O)[O-])C)C |
Product Overview
Isospinasterol, P-nitrobenzoate (CAS 7505-35-3), with molecular formula C34H47NO4 and molecular weight 533.35 g/mol. IUPAC: [10,13-dimethyl-17-[(E)-6-methylhept-3-en-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 4-nitrobenzoate.
Chemical Property Profile of Isospinasterol, P-nitrobenzoate
Property Insights of Isospinasterol, P-nitrobenzoate
The XLogP value of 8.9376 indicates that Isospinasterol, P-nitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.44 Ų falls within the moderate polarity range, balancing permeability and solubility for Isospinasterol, P-nitrobenzoate. Following Lipinski's Rule of Five, Isospinasterol, P-nitrobenzoate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Isospinasterol, P-nitrobenzoate?
The CAS number of Isospinasterol, P-nitrobenzoate is 7505-35-3.
What is the molecular formula of Isospinasterol, P-nitrobenzoate?
The molecular formula of Isospinasterol, P-nitrobenzoate is C34H47NO4.
What is the molecular weight of Isospinasterol, P-nitrobenzoate?
The molecular weight of Isospinasterol, P-nitrobenzoate is 533.35 g/mol.
Where can I buy Isospinasterol, P-nitrobenzoate?
You can request a quote for Isospinasterol, P-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isospinasterol, P-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Isospinasterol, P-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.