N-(3-Pyridylmethyl)dihydroepidoxorubicin
TL;DR: N-(3-Pyridylmethyl)dihydroepidoxorubicin (CAS 145785-63-3) is a chemical compound with molecular formula C33H36N2O11 and molecular weight 636.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(1,2-dihydroxyethyl)-6,9,11-trihydroxy-7-[5-hydroxy-6-methyl-4-(pyridin-3-ylmethylamino)oxan-2-yl]oxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
Also Known As: YM4 Doxorubicin analog, YM 4, N-(3-Pyridylmethyl)dihydroepidoxorubicin, 5,12-Naphthacenedione, 8-(1,2-dihydroxyethyl)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-10-((2,3,6-trideoxy-3-((3-pyridinylmethyl)amino)-alpha-L-arabino-hexopyranosyl)oxy)-, (8S-(8alpha,8(R*),10alpha))-, 9-(1,2-dihydroxyethyl)-6,9,11-trihydroxy-7-[5-hydroxy-6-methyl-4-(pyridin-3-ylmethylamino)oxan-2-yl]oxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
| Molecular Formula | C33H36N2O11 |
|---|---|
| Molecular Weight | 636.23 g/mol |
| LogP | 1.0192 |
| Topological Polar Surface Area | 208.13 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 8 |
| Exact Mass | 636.23193 |
| Heavy Atoms | 46 |
| Complexity | 1665.2231 |
Chemical Identifiers
| CAS Number | 145785-63-3 |
|---|---|
| SMILES | CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(CO)O)O)NCC6=CN=CC=C6)O |
Product Overview
N-(3-Pyridylmethyl)dihydroepidoxorubicin (CAS 145785-63-3), with molecular formula C33H36N2O11 and molecular weight 636.23 g/mol. IUPAC: 9-(1,2-dihydroxyethyl)-6,9,11-trihydroxy-7-[5-hydroxy-6-methyl-4-(pyridin-3-ylmethylamino)oxan-2-yl]oxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione.
Chemical Property Profile of N-(3-Pyridylmethyl)dihydroepidoxorubicin
Property Insights of N-(3-Pyridylmethyl)dihydroepidoxorubicin
The XLogP value of 1.0192 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3-Pyridylmethyl)dihydroepidoxorubicin. The TPSA of 208.13 Ų indicates high polarity, suggesting N-(3-Pyridylmethyl)dihydroepidoxorubicin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-(3-Pyridylmethyl)dihydroepidoxorubicin has 7 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 N-(3-Pyridylmethyl)dihydroepidoxorubicin?
The CAS number of N-(3-Pyridylmethyl)dihydroepidoxorubicin is 145785-63-3.
What is the molecular formula of N-(3-Pyridylmethyl)dihydroepidoxorubicin?
The molecular formula of N-(3-Pyridylmethyl)dihydroepidoxorubicin is C33H36N2O11.
What is the molecular weight of N-(3-Pyridylmethyl)dihydroepidoxorubicin?
The molecular weight of N-(3-Pyridylmethyl)dihydroepidoxorubicin is 636.23 g/mol.
Where can I buy N-(3-Pyridylmethyl)dihydroepidoxorubicin?
You can request a quote for N-(3-Pyridylmethyl)dihydroepidoxorubicin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-Pyridylmethyl)dihydroepidoxorubicin?
Yes, KEHONG BIO provides custom synthesis services for N-(3-Pyridylmethyl)dihydroepidoxorubicin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.