Isoharringtonine
TL;DR: Isoharringtonine (CAS 26833-86-3) is a chemical compound with molecular formula C28H37NO9 and molecular weight 531.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-O-[(2S,3S,6R)-4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.02,6.06,10.015,19]icosa-1(20),4,13,15(19)-tetraen-3-yl] 4-O-methyl (2R,3S)-2,3-dihydroxy-2-(3-methylbutyl)butanedioate
Also Known As: Isoharringtonine, iso-harringtonine, NCI60_000918, 1-O-[(2S,3S,6R)-4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.02,6.06,10.015,19]icosa-1(20),4,13,15(19)-tetraen-3-yl] 4-O-methyl (2R,3S)-2,3-dihydroxy-2-(3-methylbutyl)butanedioate, 4-Methylcephalotaxine 2,3-dihydroxy-2-(3-methylbutyl)butanedioate ester
| Molecular Formula | C28H37NO9 |
|---|---|
| Molecular Weight | 531.25 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 10 |
| Exact Mass | 531.2468 |
| Heavy Atoms | 38 |
| Complexity | 939.0 |
Chemical Identifiers
| CAS Number | 26833-86-3 |
|---|---|
| SMILES | CC(C)CC[C@@]([C@@H](C(=O)OC)O)(C(=O)O[C@H]1[C@H]2C3=CC4=C(C=C3CCN5[C@@]2(CCC5)C=C1OC)OCO4)O |
| InChIKey | CAOHZEUEVKYHPF-XWHOPEMDSA-N |
Product Overview
Isoharringtonine (CAS 26833-86-3), with molecular formula C28H37NO9 and molecular weight 531.25 g/mol. IUPAC: 1-O-[(2S,3S,6R)-4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.02,6.06,10.015,19]icosa-1(20),4,13,15(19)-tetraen-3-yl] 4-O-methyl (2R,3S)-2,3-dihydroxy-2-(3-methylbutyl)butanedioate.
Chemical Property Profile of Isoharringtonine
Property Insights of Isoharringtonine
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isoharringtonine. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Isoharringtonine. Following Lipinski's Rule of Five, Isoharringtonine has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Isoharringtonine?
The CAS number of Isoharringtonine is 26833-86-3.
What is the molecular formula of Isoharringtonine?
The molecular formula of Isoharringtonine is C28H37NO9.
What is the molecular weight of Isoharringtonine?
The molecular weight of Isoharringtonine is 531.25 g/mol.
Where can I buy Isoharringtonine?
You can request a quote for Isoharringtonine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoharringtonine?
Yes, KEHONG BIO provides custom synthesis services for Isoharringtonine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.