17-Acetylrauglucine
TL;DR: 17-Acetylrauglucine (CAS 13976-25-5) is a chemical compound with molecular formula C28H38N2O8 and molecular weight 530.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[13-ethyl-8-methyl-14-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-trien-18-yl] acetate
Also Known As: 17-Acetylrauglucine, Acetylrauglucine, Rauglucine 17-acetate, 21-(hexopyranosyloxy)ajmalan-17-yl acetate, 17-O-Acetyl-21-O-glucopyranosylajmaline
| Molecular Formula | C28H38N2O8 |
|---|---|
| Molecular Weight | 530.26 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 530.2628 |
| Heavy Atoms | 38 |
| Complexity | 954.0 |
Chemical Identifiers
| CAS Number | 13976-25-5 |
|---|---|
| SMILES | CCC1C2CC3C4C5(CC(C2C5OC(=O)C)N3C1OC6C(C(C(C(O6)CO)O)O)O)C7=CC=CC=C7N4C |
| InChIKey | DXJXFCDSCZWMHZ-UHFFFAOYSA-N |
Product Overview
17-Acetylrauglucine (CAS 13976-25-5), with molecular formula C28H38N2O8 and molecular weight 530.26 g/mol. IUPAC: [13-ethyl-8-methyl-14-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-trien-18-yl] acetate.
Chemical Property Profile of 17-Acetylrauglucine
Property Insights of 17-Acetylrauglucine
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 17-Acetylrauglucine. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 17-Acetylrauglucine. Following Lipinski's Rule of Five, 17-Acetylrauglucine has 4 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 17-Acetylrauglucine?
The CAS number of 17-Acetylrauglucine is 13976-25-5.
What is the molecular formula of 17-Acetylrauglucine?
The molecular formula of 17-Acetylrauglucine is C28H38N2O8.
What is the molecular weight of 17-Acetylrauglucine?
The molecular weight of 17-Acetylrauglucine is 530.26 g/mol.
Where can I buy 17-Acetylrauglucine?
You can request a quote for 17-Acetylrauglucine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 17-Acetylrauglucine?
Yes, KEHONG BIO provides custom synthesis services for 17-Acetylrauglucine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.