Adriamycin 14-naphthaleneacetate
TL;DR: Adriamycin 14-naphthaleneacetate (CAS 64161-91-7) is a chemical compound with molecular formula C39H37NO12 and molecular weight 711.23 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] 2-naphthalen-1-ylacetate
Also Known As: Adriamycin 14-naphthaleneacetate, 1-Naphthaleneacetic acid, 2-(4-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-2-naphthacenyl)-2-oxoethyl ester, (2S-cis)-, 2-{4-[(3-amino-2,3,6-trideoxyhexopyranosyl)oxy]-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-2-yl}-2-oxoethyl naphthalen-1-ylacetate, [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] 2-naphthalen-1-ylacetate
| Molecular Formula | C39H37NO12 |
|---|---|
| Molecular Weight | 711.23 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 212.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 9 |
| Exact Mass | 711.23157 |
| Heavy Atoms | 52 |
| Complexity | 1360.0 |
Chemical Identifiers
| CAS Number | 64161-91-7 |
|---|---|
| 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)CC6=CC=CC7=CC=CC=C76)O)N)O |
| InChIKey | GYCQOHQXGJAWAC-UHFFFAOYSA-N |
Product Overview
Adriamycin 14-naphthaleneacetate (CAS 64161-91-7), with molecular formula C39H37NO12 and molecular weight 711.23 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] 2-naphthalen-1-ylacetate.
Chemical Property Profile of Adriamycin 14-naphthaleneacetate
Property Insights of Adriamycin 14-naphthaleneacetate
The XLogP value of 4.1 indicates that Adriamycin 14-naphthaleneacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 212.0 Ų indicates high polarity, suggesting Adriamycin 14-naphthaleneacetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Adriamycin 14-naphthaleneacetate 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 14-naphthaleneacetate?
The CAS number of Adriamycin 14-naphthaleneacetate is 64161-91-7.
What is the molecular formula of Adriamycin 14-naphthaleneacetate?
The molecular formula of Adriamycin 14-naphthaleneacetate is C39H37NO12.
What is the molecular weight of Adriamycin 14-naphthaleneacetate?
The molecular weight of Adriamycin 14-naphthaleneacetate is 711.23 g/mol.
Where can I buy Adriamycin 14-naphthaleneacetate?
You can request a quote for Adriamycin 14-naphthaleneacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Adriamycin 14-naphthaleneacetate?
Yes, KEHONG BIO provides custom synthesis services for Adriamycin 14-naphthaleneacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.