5-Iminocyanomorpholinoadriamycin
TL;DR: 5-Iminocyanomorpholinoadriamycin (CAS 89164-79-4) is a chemical compound with molecular formula C32H35N3O11 and molecular weight 637.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-4-[(2R,3R,4R,6R)-3-hydroxy-2-methyl-6-[[(1S,3R)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-11-imino-10-methoxy-6-oxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]morpholine-3-carbonitrile
Also Known As: 5-Iminocyanomorpholinoadriamycin, alpha-3'-Deamino-3'-(3-cyano-4-morpholinyl)-12-iminoadriamycin, (8S-cis)-10-((3-((R)-3-Cyano-4-morpholinyl)-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,9,10,12-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-12-imino-1-methoxy-5(8H)-naphthacenone, 10-((3-((R)-3-Cyano-4-morpholinyl)-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,9,10,12-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-12-imino-1-methoxy-5(8H)-naphthacenone (8S-cis)-, 5(8H)-Naphthacenone, 10-((3-((R)-3-cyano-4-morpholinyl)-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,9,10,12-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-12-imino-1-methoxy-, (8S-cis)-
| Molecular Formula | C32H35N3O11 |
|---|---|
| Molecular Weight | 637.23 g/mol |
| LogP | 0.45215 |
| Topological Polar Surface Area | 223.09 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 6 |
| Exact Mass | 637.2272 |
| Heavy Atoms | 46 |
| Complexity | 1654.7574 |
Chemical Identifiers
| CAS Number | 89164-79-4 |
|---|---|
| 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=N)C(=CC=C5)OC)O)(C(=O)CO)O)N6CCOC[C@@H]6C#N)O |
Product Overview
5-Iminocyanomorpholinoadriamycin (CAS 89164-79-4), with molecular formula C32H35N3O11 and molecular weight 637.23 g/mol. IUPAC: (3S)-4-[(2R,3R,4R,6R)-3-hydroxy-2-methyl-6-[[(1S,3R)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-11-imino-10-methoxy-6-oxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]morpholine-3-carbonitrile.
Chemical Property Profile of 5-Iminocyanomorpholinoadriamycin
Property Insights of 5-Iminocyanomorpholinoadriamycin
The XLogP value of 0.45215 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Iminocyanomorpholinoadriamycin. The TPSA of 223.09 Ų indicates high polarity, suggesting 5-Iminocyanomorpholinoadriamycin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-Iminocyanomorpholinoadriamycin 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 5-Iminocyanomorpholinoadriamycin?
The CAS number of 5-Iminocyanomorpholinoadriamycin is 89164-79-4.
What is the molecular formula of 5-Iminocyanomorpholinoadriamycin?
The molecular formula of 5-Iminocyanomorpholinoadriamycin is C32H35N3O11.
What is the molecular weight of 5-Iminocyanomorpholinoadriamycin?
The molecular weight of 5-Iminocyanomorpholinoadriamycin is 637.23 g/mol.
Where can I buy 5-Iminocyanomorpholinoadriamycin?
You can request a quote for 5-Iminocyanomorpholinoadriamycin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Iminocyanomorpholinoadriamycin?
Yes, KEHONG BIO provides custom synthesis services for 5-Iminocyanomorpholinoadriamycin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.