盘长孢内酯O
TL;DR: 盘长孢内酯O (CAS 93361-64-9) is a chemical compound with molecular formula C15H18O6 and molecular weight 294.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
盘长孢内酯O
(1R,4aR,6aR,7R)-1-hydroxy-1-(hydroxymethyl)-7,8-dimethyl-2-oxo-4,4a,6a,7-tetrahydropentaleno[1,6a-c]pyran-5-carboxylic acid
Also Known As: Pentalenolactone O, KST-1A9264, (4r,7r,7ar,9ar)-4-hydroxy-4-(hydroxymethyl)-6,7-dimethyl-3-oxo-1,3,4,7,7a,9a-hexahydropentaleno[1,6a-c]pyran-9-carboxylic acid, (1R,4aR,6aR,7R)-1-hydroxy-1-(hydroxymethyl)-7,8-dimethyl-2-oxo-4,4a,6a,7-tetrahydropentaleno[1,6a-c]pyran-5-carboxylic acid, Pentaleno(1,6a-c)pyran-5-carboxylic acid, 1,2,4,4a,6a,7-hexahydro-1-hydroxy-1-(hydroxymethyl)-7,8-dimethyl-2-oxo-, (1R-(1alpha,4aalpha,6abeta,7alpha,9aS*))-
| Molecular Formula | C15H18O6 |
|---|---|
| Molecular Weight | 294.11 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 294.11035 |
| Heavy Atoms | 21 |
| Complexity | 591.0 |
Chemical Identifiers
| CAS Number | 93361-64-9 |
|---|---|
| SMILES | C[C@@H]1[C@H]2C=C([C@H]3C2(C=C1C)[C@](C(=O)OC3)(CO)O)C(=O)O |
| InChIKey | FWDDYLWFBHUEKH-MERSJFMSSA-N |
Product Overview
盘长孢内酯O (CAS 93361-64-9), with molecular formula C15H18O6 and molecular weight 294.11 g/mol. IUPAC: (1R,4aR,6aR,7R)-1-hydroxy-1-(hydroxymethyl)-7,8-dimethyl-2-oxo-4,4a,6a,7-tetrahydropentaleno[1,6a-c]pyran-5-carboxylic acid.
Chemical Property Profile of 盘长孢内酯O
Property Insights of 盘长孢内酯O
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 盘长孢内酯O. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 盘长孢内酯O. Following Lipinski's Rule of Five, 盘长孢内酯O has 3 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 盘长孢内酯O?
The CAS number of 盘长孢内酯O is 93361-64-9.
What is the molecular formula of 盘长孢内酯O?
The molecular formula of 盘长孢内酯O is C15H18O6.
What is the molecular weight of 盘长孢内酯O?
The molecular weight of 盘长孢内酯O is 294.11 g/mol.
Where can I buy 盘长孢内酯O?
You can request a quote for 盘长孢内酯O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 盘长孢内酯O?
Yes, KEHONG BIO provides custom synthesis services for 盘长孢内酯O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.