伊司匹尼
TL;DR: 伊司匹尼 (CAS 88889-14-9) is a chemical compound with molecular formula C30H45NO7P- and molecular weight 562.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
伊司匹尼
4-cyclohexyl-1-[2-[(2-methyl-1-propanoyloxypropoxy)-(4-phenylbutyl)phosphoryl]acetyl]pyrrolidine-2-carboxylate
Also Known As: Ispinesib, FOSINOPRIL SODIUM, (R)-N-(3-aminopropyl)-N-(1-(3-benzyl-7-chloro-4-oxo-3,4-dihydroquinazolin-2-yl)-2-methylpropyl)-4-methylbenzamide, 4-cyclohexyl-1-({[2-methyl-1-(propanoyloxy)propoxy](4-phenylbutyl)phosphoryl}acetyl)pyrrolidine-2-carboxylate, 4-cyclohexyl-1-[2-[(2-methyl-1-propanoyloxypropoxy)-(4-phenylbutyl)phosphoryl]acetyl]pyrrolidine-2-carboxylate
| Molecular Formula | C30H45NO7P- |
|---|---|
| Molecular Weight | 562.29 g/mol |
| LogP | 6.9 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 14 |
| Exact Mass | 562.29333 |
| Heavy Atoms | 39 |
| Complexity | 845.0 |
Chemical Identifiers
| CAS Number | 88889-14-9 |
|---|---|
| SMILES | CCC(=O)OC(C(C)C)OP(=O)(CCCCC1=CC=CC=C1)CC(=O)N2CC(CC2C(=O)[O-])C3CCCCC3 |
| InChIKey | BIDNLKIUORFRQP-UHFFFAOYSA-M |
Product Overview
伊司匹尼 (CAS 88889-14-9), with molecular formula C30H45NO7P- and molecular weight 562.29 g/mol. IUPAC: 4-cyclohexyl-1-[2-[(2-methyl-1-propanoyloxypropoxy)-(4-phenylbutyl)phosphoryl]acetyl]pyrrolidine-2-carboxylate.
Chemical Property Profile of 伊司匹尼
Property Insights of 伊司匹尼
The XLogP value of 6.9 indicates that 伊司匹尼 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 伊司匹尼. Following Lipinski's Rule of Five, 伊司匹尼 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 伊司匹尼?
The CAS number of 伊司匹尼 is 88889-14-9.
What is the molecular formula of 伊司匹尼?
The molecular formula of 伊司匹尼 is C30H45NO7P-.
What is the molecular weight of 伊司匹尼?
The molecular weight of 伊司匹尼 is 562.29 g/mol.
Where can I buy 伊司匹尼?
You can request a quote for 伊司匹尼 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 伊司匹尼?
Yes, KEHONG BIO provides custom synthesis services for 伊司匹尼 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.