(22E)-Stigmasta-5,22-dien-3beta-yl naphthalen-1-ylcarbamate
TL;DR: (22E)-Stigmasta-5,22-dien-3beta-yl naphthalen-1-ylcarbamate (CAS 80731-53-9) is a chemical compound with molecular formula C40H55NO2 and molecular weight 581.42 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] N-naphthalen-1-ylcarbamate
Also Known As: (22E)-Stigmasta-5,22-dien-3beta-yl naphthalen-1-ylcarbamate, [(3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhe, [(3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] N-naphthalen-1-ylcarbamate
| Molecular Formula | C40H55NO2 |
|---|---|
| Molecular Weight | 581.42 g/mol |
| LogP | 11.2104 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 581.4233 |
| Heavy Atoms | 43 |
| Complexity | 1368.3075 |
Chemical Identifiers
| CAS Number | 80731-53-9 |
|---|---|
| SMILES | CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)NC5=CC=CC6=CC=CC=C65)C)C)C(C)C |
Product Overview
(22E)-Stigmasta-5,22-dien-3beta-yl naphthalen-1-ylcarbamate (CAS 80731-53-9), with molecular formula C40H55NO2 and molecular weight 581.42 g/mol. IUPAC: [(3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] N-naphthalen-1-ylcarbamate.
Chemical Property Profile of (22E)-Stigmasta-5,22-dien-3beta-yl naphthalen-1-ylcarbamate
Property Insights of (22E)-Stigmasta-5,22-dien-3beta-yl naphthalen-1-ylcarbamate
The XLogP value of 11.2104 indicates that (22E)-Stigmasta-5,22-dien-3beta-yl naphthalen-1-ylcarbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.33 Ų, (22E)-Stigmasta-5,22-dien-3beta-yl naphthalen-1-ylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (22E)-Stigmasta-5,22-dien-3beta-yl naphthalen-1-ylcarbamate has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (22E)-Stigmasta-5,22-dien-3beta-yl naphthalen-1-ylcarbamate?
The CAS number of (22E)-Stigmasta-5,22-dien-3beta-yl naphthalen-1-ylcarbamate is 80731-53-9.
What is the molecular formula of (22E)-Stigmasta-5,22-dien-3beta-yl naphthalen-1-ylcarbamate?
The molecular formula of (22E)-Stigmasta-5,22-dien-3beta-yl naphthalen-1-ylcarbamate is C40H55NO2.
What is the molecular weight of (22E)-Stigmasta-5,22-dien-3beta-yl naphthalen-1-ylcarbamate?
The molecular weight of (22E)-Stigmasta-5,22-dien-3beta-yl naphthalen-1-ylcarbamate is 581.42 g/mol.
Where can I buy (22E)-Stigmasta-5,22-dien-3beta-yl naphthalen-1-ylcarbamate?
You can request a quote for (22E)-Stigmasta-5,22-dien-3beta-yl naphthalen-1-ylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (22E)-Stigmasta-5,22-dien-3beta-yl naphthalen-1-ylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for (22E)-Stigmasta-5,22-dien-3beta-yl naphthalen-1-ylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.