烟曲霉醇
TL;DR: 烟曲霉醇 (CAS 35903-52-7) is a chemical compound with molecular formula C16H26O4 and molecular weight 282.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
烟曲霉醇
(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-ol
Also Known As: Fumagillol, Gelcohol, (-)-Fumagillol, FOS 37; Gelcohol, Alcohol-I from Fumagillin
| Molecular Formula | C16H26O4 |
|---|---|
| Molecular Weight | 282.18 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 54.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 282.1831 |
| Heavy Atoms | 20 |
| Complexity | 417.0 |
Chemical Identifiers
| CAS Number | 35903-52-7 |
|---|---|
| SMILES | CC(=CC[C@@H]1[C@@](O1)(C)[C@H]2[C@@H]([C@@H](CC[C@]23CO3)O)OC)C |
| InChIKey | CEVCTNCUIVEQOY-JQOWZUPLSA-N |
Product Overview
烟曲霉醇 (CAS 35903-52-7), with molecular formula C16H26O4 and molecular weight 282.18 g/mol. IUPAC: (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-ol.
Chemical Property Profile of 烟曲霉醇
Property Insights of 烟曲霉醇
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 烟曲霉醇. With a topological polar surface area (TPSA) of 54.5 Ų, 烟曲霉醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 烟曲霉醇 has 1 hydrogen bond donor(s) and 4 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 烟曲霉醇?
The CAS number of 烟曲霉醇 is 35903-52-7.
What is the molecular formula of 烟曲霉醇?
The molecular formula of 烟曲霉醇 is C16H26O4.
What is the molecular weight of 烟曲霉醇?
The molecular weight of 烟曲霉醇 is 282.18 g/mol.
Where can I buy 烟曲霉醇?
You can request a quote for 烟曲霉醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 烟曲霉醇?
Yes, KEHONG BIO provides custom synthesis services for 烟曲霉醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.