Adriamycin, 3-acetate
TL;DR: Adriamycin, 3-acetate (CAS 30489-04-4) is a chemical compound with molecular formula C29H31NO12 and molecular weight 585.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[4-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-oxoethyl] acetate
Also Known As: Adriamycin, 3-acetate, 14-O-Acetyldoxorubicin, [2-[4-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-oxoethyl] acetate, 5,12-Naphthacenedione, 8-[(acetyloxy)acetyl]-10-[(3-amino-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, (8S-cis)-
| Molecular Formula | C29H31NO12 |
|---|---|
| Molecular Weight | 585.18 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 212.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 7 |
| Exact Mass | 585.18463 |
| Heavy Atoms | 42 |
| Complexity | 1080.0 |
Chemical Identifiers
| CAS Number | 30489-04-4 |
|---|---|
| SMILES | CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)COC(=O)C)O)N)O |
| InChIKey | BLBUCDKAANQBPH-UHFFFAOYSA-N |
Product Overview
Adriamycin, 3-acetate (CAS 30489-04-4), with molecular formula C29H31NO12 and molecular weight 585.18 g/mol. IUPAC: [2-[4-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-oxoethyl] acetate.
Chemical Property Profile of Adriamycin, 3-acetate
Property Insights of Adriamycin, 3-acetate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Adriamycin, 3-acetate. The TPSA of 212.0 Ų indicates high polarity, suggesting Adriamycin, 3-acetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Adriamycin, 3-acetate has 5 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Adriamycin, 3-acetate?
The CAS number of Adriamycin, 3-acetate is 30489-04-4.
What is the molecular formula of Adriamycin, 3-acetate?
The molecular formula of Adriamycin, 3-acetate is C29H31NO12.
What is the molecular weight of Adriamycin, 3-acetate?
The molecular weight of Adriamycin, 3-acetate is 585.18 g/mol.
Where can I buy Adriamycin, 3-acetate?
You can request a quote for Adriamycin, 3-acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Adriamycin, 3-acetate?
Yes, KEHONG BIO provides custom synthesis services for Adriamycin, 3-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.