MRA-CN isomer a, a:b = 93:7
TL;DR: MRA-CN isomer a, a:b = 93:7 (CAS 89196-07-6) is a chemical compound with molecular formula C32H34N2O12 and molecular weight 638.21 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)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]morpholine-3-carbonitrile
Also Known As: MRA-CN isomer a, a:b = 93:7, alpha-3'-Deamino-3'-(3-cyano-4-morpholinyl)adriamycin, (8S-cis)-10-((3-((R)-3-Cyano-4-morpholinyl)-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-5,12-naphthacenedione, 10-((3-((R)-3-Cyano-4-morpholinyl)-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-5,12-naphthacenedione (8S-cis)-, 5,12-Naphthacenedione, 10-((3-((R)-3-cyano-4-morpholinyl)-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, (8S-cis)-
| Molecular Formula | C32H34N2O12 |
|---|---|
| Molecular Weight | 638.21 g/mol |
| LogP | 0.26698 |
| Topological Polar Surface Area | 216.31 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 6 |
| Exact Mass | 638.2112 |
| Heavy Atoms | 46 |
| Complexity | 1652.5465 |
Chemical Identifiers
| CAS Number | 89196-07-6 |
|---|---|
| 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)CO)O)N6CCOC[C@@H]6C#N)O |
Product Overview
MRA-CN isomer a, a:b = 93:7 (CAS 89196-07-6), with molecular formula C32H34N2O12 and molecular weight 638.21 g/mol. IUPAC: (3S)-4-[(2R,3R,4R,6R)-3-hydroxy-2-methyl-6-[[(1S,3R)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]morpholine-3-carbonitrile.
Chemical Property Profile of MRA-CN isomer a, a:b = 93:7
Property Insights of MRA-CN isomer a, a:b = 93:7
The XLogP value of 0.26698 suggests moderate lipophilicity, balancing water solubility and membrane permeability for MRA-CN isomer a, a:b = 93:7. The TPSA of 216.31 Ų indicates high polarity, suggesting MRA-CN isomer a, a:b = 93:7 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, MRA-CN isomer a, a:b = 93:7 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 MRA-CN isomer a, a:b = 93:7?
The CAS number of MRA-CN isomer a, a:b = 93:7 is 89196-07-6.
What is the molecular formula of MRA-CN isomer a, a:b = 93:7?
The molecular formula of MRA-CN isomer a, a:b = 93:7 is C32H34N2O12.
What is the molecular weight of MRA-CN isomer a, a:b = 93:7?
The molecular weight of MRA-CN isomer a, a:b = 93:7 is 638.21 g/mol.
Where can I buy MRA-CN isomer a, a:b = 93:7?
You can request a quote for MRA-CN isomer a, a:b = 93:7 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for MRA-CN isomer a, a:b = 93:7?
Yes, KEHONG BIO provides custom synthesis services for MRA-CN isomer a, a:b = 93:7 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.