N,N-Bis(3-pyridylmethyl)adriamycin
TL;DR: N,N-Bis(3-pyridylmethyl)adriamycin (CAS 145785-64-4) is a chemical compound with molecular formula C39H39N3O11 and molecular weight 725.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[4-[bis(pyridin-3-ylmethyl)amino]-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
Also Known As: YM6 Doxorubicin analog, N,N-Bis(3-pyridylmethyl)adriamycin, YM 6, 7-[4-[bis(pyridin-3-ylmethyl)amino]-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione, 3,5,12-Trihydroxy-3-(hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-{bis[(pyridin-3-yl)methyl]amino}-2,3,6-trideoxyhexopyranoside
| Molecular Formula | C39H39N3O11 |
|---|---|
| Molecular Weight | 725.26 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 209.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 10 |
| Exact Mass | 725.2585 |
| Heavy Atoms | 53 |
| Complexity | 1300.0 |
Chemical Identifiers
| CAS Number | 145785-64-4 |
|---|---|
| SMILES | CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N(CC6=CN=CC=C6)CC7=CN=CC=C7)O |
| InChIKey | BCHRZIGRQLSNRO-UHFFFAOYSA-N |
Product Overview
N,N-Bis(3-pyridylmethyl)adriamycin (CAS 145785-64-4), with molecular formula C39H39N3O11 and molecular weight 725.26 g/mol. IUPAC: 7-[4-[bis(pyridin-3-ylmethyl)amino]-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione.
Chemical Property Profile of N,N-Bis(3-pyridylmethyl)adriamycin
Property Insights of N,N-Bis(3-pyridylmethyl)adriamycin
The XLogP value of 3.1 indicates that N,N-Bis(3-pyridylmethyl)adriamycin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 209.0 Ų indicates high polarity, suggesting N,N-Bis(3-pyridylmethyl)adriamycin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N,N-Bis(3-pyridylmethyl)adriamycin has 5 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 N,N-Bis(3-pyridylmethyl)adriamycin?
The CAS number of N,N-Bis(3-pyridylmethyl)adriamycin is 145785-64-4.
What is the molecular formula of N,N-Bis(3-pyridylmethyl)adriamycin?
The molecular formula of N,N-Bis(3-pyridylmethyl)adriamycin is C39H39N3O11.
What is the molecular weight of N,N-Bis(3-pyridylmethyl)adriamycin?
The molecular weight of N,N-Bis(3-pyridylmethyl)adriamycin is 725.26 g/mol.
Where can I buy N,N-Bis(3-pyridylmethyl)adriamycin?
You can request a quote for N,N-Bis(3-pyridylmethyl)adriamycin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-Bis(3-pyridylmethyl)adriamycin?
Yes, KEHONG BIO provides custom synthesis services for N,N-Bis(3-pyridylmethyl)adriamycin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.