Microcephalin
TL;DR: Microcephalin (CAS 5945-43-7) is a chemical compound with molecular formula C15H22O4 and molecular weight 266.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3aR,4aR,5R,8S,8aR,9aR)-5,8-dihydroxy-5,8a-dimethyl-3-methylidene-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-2-one
Also Known As: Microcephalin, KST-1A6382, NCI60_041875, (3ar,4ar,5r,8s,8ar,9ar)-5,8-dihydroxy-5,8a-dimethyl-3-methylidenedecahydronaphtho[2,3-b]furan-2(3h)-one, (3aR,4aR,5R,8S,8aR,9aR)-5,8-dihydroxy-5,8a-dimethyl-3-methyl
| Molecular Formula | C15H22O4 |
|---|---|
| Molecular Weight | 266.15 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 266.1518 |
| Heavy Atoms | 19 |
| Complexity | 445.0 |
Chemical Identifiers
| CAS Number | 5945-43-7 |
|---|---|
| SMILES | C[C@]1(CC[C@@H]([C@]2([C@H]1C[C@H]3[C@@H](C2)OC(=O)C3=C)C)O)O |
| InChIKey | PHYFACKULSRHQU-OYFKMHTJSA-N |
Product Overview
Microcephalin (CAS 5945-43-7), with molecular formula C15H22O4 and molecular weight 266.15 g/mol. IUPAC: (3aR,4aR,5R,8S,8aR,9aR)-5,8-dihydroxy-5,8a-dimethyl-3-methylidene-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-2-one.
Chemical Property Profile of Microcephalin
Property Insights of Microcephalin
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Microcephalin. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Microcephalin. Following Lipinski's Rule of Five, Microcephalin has 2 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 Microcephalin?
The CAS number of Microcephalin is 5945-43-7.
What is the molecular formula of Microcephalin?
The molecular formula of Microcephalin is C15H22O4.
What is the molecular weight of Microcephalin?
The molecular weight of Microcephalin is 266.15 g/mol.
Where can I buy Microcephalin?
You can request a quote for Microcephalin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Microcephalin?
Yes, KEHONG BIO provides custom synthesis services for Microcephalin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.