AD143
TL;DR: AD143 (CAS 80787-29-7) is a chemical compound with molecular formula C33H32F3NO15 and molecular weight 739.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-oxo-4-[2-oxo-2-[(2S,4S)-2,5,12-trihydroxy-4-[(2R,4S,5S,6S)-5-hydroxy-6-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]ethoxy]butanoic acid
Also Known As: AD143, N-Trifluoroacetyladriamycin-14-O-hemiadipate, 4-oxo-4-{2-oxo-2-[(2s,4s)-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-4-({2,3,6-trideoxy-3-[(trifluoroacetyl)amino]-, A-l-lyxo-hexopyranosyl}oxy)-1,2,3,4,6,11-hexahydrotetracen-2-yl]ethoxy}butanoic acid, 4-oxo-4-[2-oxo-2-[(2S,4S)-2,5,12-trihydroxy-4-[(2R,4S,5S,6S)-5-hydroxy-6-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]ethoxy]butanoic acid
| Molecular Formula | C33H32F3NO15 |
|---|---|
| Molecular Weight | 739.17 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 253.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 11 |
| Exact Mass | 739.1724 |
| Heavy Atoms | 52 |
| Complexity | 1430.0 |
Chemical Identifiers
| CAS Number | 80787-29-7 |
|---|---|
| SMILES | C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)COC(=O)CCC(=O)O)O)NC(=O)C(F)(F)F)O |
| InChIKey | XFMKGJFRYSPUCS-PEZIQGJQSA-N |
Product Overview
AD143 (CAS 80787-29-7), with molecular formula C33H32F3NO15 and molecular weight 739.17 g/mol. IUPAC: 4-oxo-4-[2-oxo-2-[(2S,4S)-2,5,12-trihydroxy-4-[(2R,4S,5S,6S)-5-hydroxy-6-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]ethoxy]butanoic acid.
Chemical Property Profile of AD143
Property Insights of AD143
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AD143. The TPSA of 253.0 Ų indicates high polarity, suggesting AD143 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, AD143 has 6 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AD143?
The CAS number of AD143 is 80787-29-7.
What is the molecular formula of AD143?
The molecular formula of AD143 is C33H32F3NO15.
What is the molecular weight of AD143?
The molecular weight of AD143 is 739.17 g/mol.
Where can I buy AD143?
You can request a quote for AD143 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AD143?
Yes, KEHONG BIO provides custom synthesis services for AD143 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.