3'-(4-Methoxy-1-piperidinyl)-3'-deaminodaunorubicin
TL;DR: 3'-(4-Methoxy-1-piperidinyl)-3'-deaminodaunorubicin (CAS 79867-76-8) is a chemical compound with molecular formula C33H39NO11 and molecular weight 625.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-acetyl-6,9,11-trihydroxy-10-[5-hydroxy-4-(4-methoxypiperidin-1-yl)-6-methyloxan-2-yl]oxy-1-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
Also Known As: MOPDAD, 3'-(4-Methoxy-1-piperidinyl)-3'-deaminodaunorubicin, 92843-EP2269997A2, 92843-EP2274983A1, 92843-EP2275422A1
| Molecular Formula | C33H39NO11 |
|---|---|
| Molecular Weight | 625.25 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 172.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 6 |
| Exact Mass | 625.2523 |
| Heavy Atoms | 45 |
| Complexity | 1130.0 |
Chemical Identifiers
| CAS Number | 79867-76-8 |
|---|---|
| SMILES | CC1C(C(CC(O1)OC2C3=C(CCC2(C(=O)C)O)C(=C4C(=C3O)C(=O)C5=C(C4=O)C=CC=C5OC)O)N6CCC(CC6)OC)O |
| InChIKey | TZQVDNZZCLISPO-UHFFFAOYSA-N |
Product Overview
3'-(4-Methoxy-1-piperidinyl)-3'-deaminodaunorubicin (CAS 79867-76-8), with molecular formula C33H39NO11 and molecular weight 625.25 g/mol. IUPAC: 9-acetyl-6,9,11-trihydroxy-10-[5-hydroxy-4-(4-methoxypiperidin-1-yl)-6-methyloxan-2-yl]oxy-1-methoxy-8,10-dihydro-7H-tetracene-5,12-dione.
Chemical Property Profile of 3'-(4-Methoxy-1-piperidinyl)-3'-deaminodaunorubicin
Property Insights of 3'-(4-Methoxy-1-piperidinyl)-3'-deaminodaunorubicin
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3'-(4-Methoxy-1-piperidinyl)-3'-deaminodaunorubicin. The TPSA of 172.0 Ų indicates high polarity, suggesting 3'-(4-Methoxy-1-piperidinyl)-3'-deaminodaunorubicin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3'-(4-Methoxy-1-piperidinyl)-3'-deaminodaunorubicin has 4 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3'-(4-Methoxy-1-piperidinyl)-3'-deaminodaunorubicin?
The CAS number of 3'-(4-Methoxy-1-piperidinyl)-3'-deaminodaunorubicin is 79867-76-8.
What is the molecular formula of 3'-(4-Methoxy-1-piperidinyl)-3'-deaminodaunorubicin?
The molecular formula of 3'-(4-Methoxy-1-piperidinyl)-3'-deaminodaunorubicin is C33H39NO11.
What is the molecular weight of 3'-(4-Methoxy-1-piperidinyl)-3'-deaminodaunorubicin?
The molecular weight of 3'-(4-Methoxy-1-piperidinyl)-3'-deaminodaunorubicin is 625.25 g/mol.
Where can I buy 3'-(4-Methoxy-1-piperidinyl)-3'-deaminodaunorubicin?
You can request a quote for 3'-(4-Methoxy-1-piperidinyl)-3'-deaminodaunorubicin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3'-(4-Methoxy-1-piperidinyl)-3'-deaminodaunorubicin?
Yes, KEHONG BIO provides custom synthesis services for 3'-(4-Methoxy-1-piperidinyl)-3'-deaminodaunorubicin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.