Kidamycin, acetyl-
TL;DR: Kidamycin, acetyl- (CAS 39621-10-8) 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-[(E)-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, KIDAMYCIN, ACETYL-, [6-[12-acetyloxy-10-[5-acetyloxy-4-(dimethylamino)-4,6-dimethyloxan-2-yl]-2-[(E)-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, 6-[12-(acetyloxy)-10-[5-(acetyloxy)-4-(dimethylamino)-4,6-dimethyltetrahydro-2h-pyran-2-yl]-2-(but-2-en-2-yl)-11-hydroxy-12-methoxy-5-methyl-4,7-dioxo-7,12-dihydro-4h-naphtho[2,3-h]chromen-8-yl]-4-(dimethylamino)-2-methyltetrahydro-2h-pyran-3-yl acetate(non-preferred name), 4H-Anthra(1,2-b)pyran-4,7(12H)-dione, 12-(acetyloxy)-8-(4-O-acetyl-2,3,6-trideoxy-3-(dimethylamino)-beta-D-arabino-hexopyranosyl)-10-(4-O-acetyl-2,3,6-trideoxy-3-(dimethylamino)-3-C-methyl-alpha-L-lyxo-hexopyranosyl)-11-hydroxy-12-methoxy-5-methyl-2-(1-methyl-1-propenyl)-, (R-(E))-
| Molecular Formula | C46H58N2O13 |
|---|---|
| Molecular Weight | 846.39 g/mol |
| LogP | 5.99892 |
| Topological Polar Surface Area | 180.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 9 |
| Exact Mass | 846.39386 |
| Heavy Atoms | 61 |
| Complexity | 2382.5344 |
Chemical Identifiers
| CAS Number | 39621-10-8 |
|---|---|
| SMILES | C/C=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 |
Product Overview
Kidamycin, acetyl- (CAS 39621-10-8), 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-[(E)-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 Kidamycin, acetyl-
Property Insights of Kidamycin, acetyl-
The XLogP value of 5.99892 indicates that Kidamycin, acetyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 180.58 Ų indicates high polarity, suggesting Kidamycin, acetyl- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Kidamycin, acetyl- 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 Kidamycin, acetyl-?
The CAS number of Kidamycin, acetyl- is 39621-10-8.
What is the molecular formula of Kidamycin, acetyl-?
The molecular formula of Kidamycin, acetyl- is C46H58N2O13.
What is the molecular weight of Kidamycin, acetyl-?
The molecular weight of Kidamycin, acetyl- is 846.39 g/mol.
Where can I buy Kidamycin, acetyl-?
You can request a quote for Kidamycin, acetyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Kidamycin, acetyl-?
Yes, KEHONG BIO provides custom synthesis services for Kidamycin, acetyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.