Fumitremorgin B
TL;DR: Fumitremorgin B (CAS 12626-17-4) is a chemical compound with molecular formula C27H33N3O5 and molecular weight 479.24 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-10-(3-methylbut-2-enyl)-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: Fumitremorgin B, Lanosulin, Fumitremorgen B, FumitremorginB, NA-209B
| Molecular Formula | C27H33N3O5 |
|---|---|
| Molecular Weight | 479.24 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 95.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 479.24203 |
| Heavy Atoms | 35 |
| Complexity | 941.0 |
Chemical Identifiers
| CAS Number | 12626-17-4 |
|---|---|
| SMILES | CC(=CCN1C2=C(C=CC(=C2)OC)C3=C1[C@@H](N4C(=O)[C@@H]5CCCN5C(=O)[C@@]4([C@H]3O)O)C=C(C)C)C |
| InChIKey | WEIYXEFMCIRZHC-MWGWWEMPSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Fumitremorgin B (CAS 12626-17-4), with molecular formula C27H33N3O5 and molecular weight 479.24 g/mol. IUPAC: (1R,2S,12S,15S)-1,2-dihydroxy-7-methoxy-10-(3-methylbut-2-enyl)-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 Fumitremorgin B
Property Insights of Fumitremorgin B
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Fumitremorgin B. The TPSA of 95.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Fumitremorgin B. Following Lipinski's Rule of Five, Fumitremorgin B has 2 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 Fumitremorgin B?
The CAS number of Fumitremorgin B is 12626-17-4.
What is the molecular formula of Fumitremorgin B?
The molecular formula of Fumitremorgin B is C27H33N3O5.
What is the molecular weight of Fumitremorgin B?
The molecular weight of Fumitremorgin B is 479.24 g/mol.
Where can I buy Fumitremorgin B?
You can request a quote for Fumitremorgin B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Fumitremorgin B?
Yes, KEHONG BIO provides custom synthesis services for Fumitremorgin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.