12,13-Dihydroxyfumitremorgin C
TL;DR: 12,13-Dihydroxyfumitremorgin C (CAS 111427-99-7) is a chemical compound with molecular formula C22H25N3O5 and molecular weight 411.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,2S,12S,15S)-1,2-dihydroxy-7-methoxy-12-(2-methylprop-1-enyl)-10,13,19-triazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-3(11),4(9),5,7-tetraene-14,20-dione
Also Known As: 12,13-dihydroxyfumitremorgin C, 12alpha,13alpha-dihydroxyfumitremorgin C, 12R,13S-Dihydroxyfumitremorgin C, 12a,13a-Dihydroxyfumitremorgin C, HY-N12619
| Molecular Formula | C22H25N3O5 |
|---|---|
| Molecular Weight | 411.18 g/mol |
| LogP | 1.7526 |
| Topological Polar Surface Area | 106.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 411.1794 |
| Heavy Atoms | 30 |
| Complexity | 1101.6283 |
Chemical Identifiers
| CAS Number | 111427-99-7 |
|---|---|
| SMILES | CC(=C[C@H]1C2=C([C@@H]([C@@]3(N1C(=O)[C@@H]4CCCN4C3=O)O)O)C5=C(N2)C=C(C=C5)OC)C |
Product Overview
12,13-Dihydroxyfumitremorgin C (CAS 111427-99-7), with molecular formula C22H25N3O5 and molecular weight 411.18 g/mol. IUPAC: (1R,2S,12S,15S)-1,2-dihydroxy-7-methoxy-12-(2-methylprop-1-enyl)-10,13,19-triazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-3(11),4(9),5,7-tetraene-14,20-dione.
Chemical Property Profile of 12,13-Dihydroxyfumitremorgin C
Property Insights of 12,13-Dihydroxyfumitremorgin C
The XLogP value of 1.7526 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 12,13-Dihydroxyfumitremorgin C. The TPSA of 106.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 12,13-Dihydroxyfumitremorgin C. Following Lipinski's Rule of Five, 12,13-Dihydroxyfumitremorgin C has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 12,13-Dihydroxyfumitremorgin C?
The CAS number of 12,13-Dihydroxyfumitremorgin C is 111427-99-7.
What is the molecular formula of 12,13-Dihydroxyfumitremorgin C?
The molecular formula of 12,13-Dihydroxyfumitremorgin C is C22H25N3O5.
What is the molecular weight of 12,13-Dihydroxyfumitremorgin C?
The molecular weight of 12,13-Dihydroxyfumitremorgin C is 411.18 g/mol.
Where can I buy 12,13-Dihydroxyfumitremorgin C?
You can request a quote for 12,13-Dihydroxyfumitremorgin C directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12,13-Dihydroxyfumitremorgin C?
Yes, KEHONG BIO provides custom synthesis services for 12,13-Dihydroxyfumitremorgin C and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.