单叶芸香品碱
TL;DR: 单叶芸香品碱 (CAS 5876-17-5) is a chemical compound with molecular formula C26H42N2O5 and molecular weight 462.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
单叶芸香品碱
ethyl 2-[(17-acetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl)carbamoylamino]acetate
Also Known As: ethyl n-{[17-(acetyloxy)androstan-3-yl]carbamoyl}glycinate, ethyl 2-[(17-acetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl)carbamoylamino]acetate, N-[17-(Acetyloxy)androstan-3-yl]-N'-(2-ethoxy-2-oxoethyl)carbamimidic acid
| Molecular Formula | C26H42N2O5 |
|---|---|
| Molecular Weight | 462.31 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 93.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 462.3094 |
| Heavy Atoms | 33 |
| Complexity | 772.0 |
Chemical Identifiers
| CAS Number | 5876-17-5 |
|---|---|
| SMILES | CCOC(=O)CNC(=O)NC1CCC2(C(C1)CCC3C2CCC4(C3CCC4OC(=O)C)C)C |
| InChIKey | BNBSHKIBJKHKSR-UHFFFAOYSA-N |
Product Overview
单叶芸香品碱 (CAS 5876-17-5), with molecular formula C26H42N2O5 and molecular weight 462.31 g/mol. IUPAC: ethyl 2-[(17-acetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl)carbamoylamino]acetate.
Chemical Property Profile of 单叶芸香品碱
Property Insights of 单叶芸香品碱
The XLogP value of 4.8 indicates that 单叶芸香品碱 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 单叶芸香品碱. Following Lipinski's Rule of Five, 单叶芸香品碱 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 单叶芸香品碱?
The CAS number of 单叶芸香品碱 is 5876-17-5.
What is the molecular formula of 单叶芸香品碱?
The molecular formula of 单叶芸香品碱 is C26H42N2O5.
What is the molecular weight of 单叶芸香品碱?
The molecular weight of 单叶芸香品碱 is 462.31 g/mol.
Where can I buy 单叶芸香品碱?
You can request a quote for 单叶芸香品碱 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 单叶芸香品碱?
Yes, KEHONG BIO provides custom synthesis services for 单叶芸香品碱 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.