Acetylkidamycin
TL;DR: Acetylkidamycin (CAS 39293-24-8) is a chemical compound with molecular formula C46H58N2O13 and molecular weight 846.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[6-[12-acetyloxy-10-[5-acetyloxy-4-(dimethylamino)-4,6-dimethyloxan-2-yl]-2-but-2-en-2-yl-11-hydroxy-12-methoxy-5-methyl-4,7-dioxonaphtho[7,6-h]chromen-8-yl]-4-(dimethylamino)-2-methyloxan-3-yl] acetate
Also Known As: Acetylkidamycin, NCI60_000943, [6-[12-acetyloxy-10-[5-acetyloxy-4-(dimethylamino)-4,6-dimethyloxan-2-yl]-2-but-2-en-2-yl-11-hydroxy-12-methoxy-5-methyl-4,7-dioxonaphtho[7,6-h]chromen-8-yl]-4-(dimethylamino)-2-methyloxan-3-yl] acetate
| Molecular Formula | C46H58N2O13 |
|---|---|
| Molecular Weight | 846.39 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 177.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 12 |
| Exact Mass | 846.39386 |
| Heavy Atoms | 61 |
| Complexity | 1780.0 |
Chemical Identifiers
| CAS Number | 39293-24-8 |
|---|---|
| SMILES | CC=C(C)C1=CC(=O)C2=C(O1)C3=C(C=C2C)C(=O)C4=C(C3(OC)OC(=O)C)C(=C(C=C4C5CC(C(C(O5)C)OC(=O)C)N(C)C)C6CC(C(C(O6)C)OC(=O)C)(C)N(C)C)O |
| InChIKey | XYJIEMFSVFBJNI-UHFFFAOYSA-N |
Product Overview
Acetylkidamycin (CAS 39293-24-8), with molecular formula C46H58N2O13 and molecular weight 846.39 g/mol. IUPAC: [6-[12-acetyloxy-10-[5-acetyloxy-4-(dimethylamino)-4,6-dimethyloxan-2-yl]-2-but-2-en-2-yl-11-hydroxy-12-methoxy-5-methyl-4,7-dioxonaphtho[7,6-h]chromen-8-yl]-4-(dimethylamino)-2-methyloxan-3-yl] acetate.
Chemical Property Profile of Acetylkidamycin
Property Insights of Acetylkidamycin
The XLogP value of 4.7 indicates that Acetylkidamycin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 177.0 Ų indicates high polarity, suggesting Acetylkidamycin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Acetylkidamycin has 1 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Acetylkidamycin?
The CAS number of Acetylkidamycin is 39293-24-8.
What is the molecular formula of Acetylkidamycin?
The molecular formula of Acetylkidamycin is C46H58N2O13.
What is the molecular weight of Acetylkidamycin?
The molecular weight of Acetylkidamycin is 846.39 g/mol.
Where can I buy Acetylkidamycin?
You can request a quote for Acetylkidamycin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetylkidamycin?
Yes, KEHONG BIO provides custom synthesis services for Acetylkidamycin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.