烟曲霉素
TL;DR: 烟曲霉素 (CAS 127913-45-5) is a chemical compound with molecular formula C26H34O7 and molecular weight 458.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
烟曲霉素
(2E,4E,6E,8E)-10-[[(3R,4S,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl]oxy]-10-oxodeca-2,4,6,8-tetraenoic acid
Also Known As: fumagillin, Fugillin, Fumidil, Amebacilin, Fumagilina
| Molecular Formula | C26H34O7 |
|---|---|
| Molecular Weight | 458.23 g/mol |
| LogP | 3.9154 |
| Topological Polar Surface Area | 97.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 458.23044 |
| Heavy Atoms | 33 |
| Complexity | 873.0713 |
Chemical Identifiers
| CAS Number | 127913-45-5 |
|---|---|
| SMILES | CC(=CC[C@@H]1[C@@](O1)(C)[C@H]2[C@@H]([C@@H](CC[C@]23CO3)OC(=O)/C=C/C=C/C=C/C=C/C(=O)O)OC)C |
Product Overview
烟曲霉素 (CAS 127913-45-5), with molecular formula C26H34O7 and molecular weight 458.23 g/mol. IUPAC: (2E,4E,6E,8E)-10-[[(3R,4S,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl]oxy]-10-oxodeca-2,4,6,8-tetraenoic acid.
Chemical Property Profile of 烟曲霉素
Property Insights of 烟曲霉素
The XLogP value of 3.9154 indicates that 烟曲霉素 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.89 Ų falls within the moderate polarity range, balancing permeability and solubility for 烟曲霉素. Following Lipinski's Rule of Five, 烟曲霉素 has 1 hydrogen bond donor(s) and 6 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 烟曲霉素?
The CAS number of 烟曲霉素 is 127913-45-5.
What is the molecular formula of 烟曲霉素?
The molecular formula of 烟曲霉素 is C26H34O7.
What is the molecular weight of 烟曲霉素?
The molecular weight of 烟曲霉素 is 458.23 g/mol.
Where can I buy 烟曲霉素?
You can request a quote for 烟曲霉素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 烟曲霉素?
Yes, KEHONG BIO provides custom synthesis services for 烟曲霉素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.