Isochromophilone III
TL;DR: Isochromophilone III (CAS 167173-89-9) is a chemical compound with molecular formula C19H25ClO4 and molecular weight 352.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7R,8R,8aR)-5-chloro-3-[(1E,3E,5S)-3,5-dimethylhepta-1,3-dienyl]-7,8-dihydroxy-7-methyl-8,8a-dihydro-1H-isochromen-6-one
Also Known As: Isochromophilone III, FO 32161, J1.012.672J, (7R,8R,8aR)-5-chloro-3-[(1E,3E,5S)-3,5-dimethylhepta-1,3-dienyl]-7,8-dihydroxy-7-methyl-8,8a-dihydro-1H-isochromen-6-one, 7-deacetyl-1,O(8),8,8a-tetrahydro-7-epi-sclerotiorin
| Molecular Formula | C19H25ClO4 |
|---|---|
| Molecular Weight | 352.14 g/mol |
| LogP | 3.2528 |
| Topological Polar Surface Area | 66.76 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 352.14413 |
| Heavy Atoms | 24 |
| Complexity | 639.75226 |
Chemical Identifiers
| CAS Number | 167173-89-9 |
|---|---|
| SMILES | CC[C@H](C)/C=C(\C)/C=C/C1=CC2=C(C(=O)[C@]([C@@H]([C@H]2CO1)O)(C)O)Cl |
Product Overview
Isochromophilone III (CAS 167173-89-9), with molecular formula C19H25ClO4 and molecular weight 352.14 g/mol. IUPAC: (7R,8R,8aR)-5-chloro-3-[(1E,3E,5S)-3,5-dimethylhepta-1,3-dienyl]-7,8-dihydroxy-7-methyl-8,8a-dihydro-1H-isochromen-6-one.
Chemical Property Profile of Isochromophilone III
Property Insights of Isochromophilone III
The XLogP value of 3.2528 indicates that Isochromophilone III is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.76 Ų falls within the moderate polarity range, balancing permeability and solubility for Isochromophilone III. Following Lipinski's Rule of Five, Isochromophilone III 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 Isochromophilone III?
The CAS number of Isochromophilone III is 167173-89-9.
What is the molecular formula of Isochromophilone III?
The molecular formula of Isochromophilone III is C19H25ClO4.
What is the molecular weight of Isochromophilone III?
The molecular weight of Isochromophilone III is 352.14 g/mol.
Where can I buy Isochromophilone III?
You can request a quote for Isochromophilone III directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isochromophilone III?
Yes, KEHONG BIO provides custom synthesis services for Isochromophilone III and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.