11,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl 2-(acetylamino)-2-deoxyhexopyranoside
TL;DR: 11,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl 2-(acetylamino)-2-deoxyhexopyranoside (CAS 3048-29-1) is a chemical compound with molecular formula C29H41NO10 and molecular weight 563.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[2-(11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)-2-oxoethoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Also Known As: 11,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl 2-(acetylamino)-2-deoxyhexopyranoside, N-[2-[2-(11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)-2-oxoethoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide, 11,17-Dihydroxy-3,20-dioxopregna-1,4-dien-21-yl 2-deoxy-2-[(1-hydroxyethylidene)amino]hexopyranoside
| Molecular Formula | C29H41NO10 |
|---|---|
| Molecular Weight | 563.27 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 183.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 563.2731 |
| Heavy Atoms | 40 |
| Complexity | 1120.0 |
Chemical Identifiers
| CAS Number | 3048-29-1 |
|---|---|
| SMILES | CC(=O)NC1C(C(C(OC1OCC(=O)C2(CCC3C2(CC(C4C3CCC5=CC(=O)C=CC45C)O)C)O)CO)O)O |
| InChIKey | YQELRSRKLBGIGK-UHFFFAOYSA-N |
Product Overview
11,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl 2-(acetylamino)-2-deoxyhexopyranoside (CAS 3048-29-1), with molecular formula C29H41NO10 and molecular weight 563.27 g/mol. IUPAC: N-[2-[2-(11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)-2-oxoethoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide.
Chemical Property Profile of 11,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl 2-(acetylamino)-2-deoxyhexopyranoside
Property Insights of 11,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl 2-(acetylamino)-2-deoxyhexopyranoside
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 11,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl 2-(acetylamino)-2-deoxyhexopyranoside. The TPSA of 183.0 Ų indicates high polarity, suggesting 11,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl 2-(acetylamino)-2-deoxyhexopyranoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 11,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl 2-(acetylamino)-2-deoxyhexopyranoside has 6 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 11,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl 2-(acetylamino)-2-deoxyhexopyranoside?
The CAS number of 11,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl 2-(acetylamino)-2-deoxyhexopyranoside is 3048-29-1.
What is the molecular formula of 11,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl 2-(acetylamino)-2-deoxyhexopyranoside?
The molecular formula of 11,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl 2-(acetylamino)-2-deoxyhexopyranoside is C29H41NO10.
What is the molecular weight of 11,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl 2-(acetylamino)-2-deoxyhexopyranoside?
The molecular weight of 11,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl 2-(acetylamino)-2-deoxyhexopyranoside is 563.27 g/mol.
Where can I buy 11,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl 2-(acetylamino)-2-deoxyhexopyranoside?
You can request a quote for 11,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl 2-(acetylamino)-2-deoxyhexopyranoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl 2-(acetylamino)-2-deoxyhexopyranoside?
Yes, KEHONG BIO provides custom synthesis services for 11,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl 2-(acetylamino)-2-deoxyhexopyranoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.