Contrapect
TL;DR: Contrapect (CAS 76095-18-6) is a chemical compound with molecular formula C29H31NO13 and molecular weight 601.18 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] 2-hydroxyacetate
Also Known As: Contrapect, Adriamycin-14-glycolate, Acetic acid, hydroxy-, 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-(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-hydroxyacetate, 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 hydroxyacetate
| Molecular Formula | C29H31NO13 |
|---|---|
| Molecular Weight | 601.18 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 232.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 8 |
| Exact Mass | 601.17957 |
| Heavy Atoms | 43 |
| Complexity | 1100.0 |
Chemical Identifiers
| CAS Number | 76095-18-6 |
|---|---|
| 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)CO)O)N)O |
| InChIKey | JUQKNYQTJOJHRQ-UHFFFAOYSA-N |
Product Overview
Contrapect (CAS 76095-18-6), with molecular formula C29H31NO13 and molecular weight 601.18 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] 2-hydroxyacetate.
Chemical Property Profile of Contrapect
Property Insights of Contrapect
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Contrapect. The TPSA of 232.0 Ų indicates high polarity, suggesting Contrapect may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Contrapect has 6 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Contrapect?
The CAS number of Contrapect is 76095-18-6.
What is the molecular formula of Contrapect?
The molecular formula of Contrapect is C29H31NO13.
What is the molecular weight of Contrapect?
The molecular weight of Contrapect is 601.18 g/mol.
Where can I buy Contrapect?
You can request a quote for Contrapect directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Contrapect?
Yes, KEHONG BIO provides custom synthesis services for Contrapect and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.