Pseudoirroratin A
TL;DR: Pseudoirroratin A (CAS 407594-84-7) is a chemical compound with molecular formula C20H28O5 and molecular weight 348.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,4R,6S,9R,10R,12R,17S,18R)-4,10,18-trihydroxy-13,13-dimethyl-7-methylidene-3-oxapentacyclo[7.7.1.16,9.01,12.04,17]octadecan-8-one
Also Known As: Pseudoirroratin A, NDYPVJHBSKUXPP-VWIBHASISA-, (1S,4R,6S,9R,10R,12R,17S,18R)-4,10,18-trihydroxy-13,13-dimethyl-7-methylidene-3-oxapentacyclo(7.7.1.16,9.01,12.04,17)octadecan-8-one, (1S,4R,6S,9R,10R,12R,17S,18R)-4,10,18-trihydroxy-13,13-dimethyl-7-methylidene-3-oxapentacyclo[7.7.1.16,9.01,12.04,17]octadecan-8-one, RefChem:930170
| Molecular Formula | C20H28O5 |
|---|---|
| Molecular Weight | 348.19 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 87.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 348.19366 |
| Heavy Atoms | 25 |
| Complexity | 686.0 |
Chemical Identifiers
| CAS Number | 407594-84-7 |
|---|---|
| SMILES | CC1(CCC[C@]23[C@@H]1C[C@H]([C@]45[C@H]2[C@@](C[C@H]([C@H]4O)C(=C)C5=O)(OC3)O)O)C |
| InChIKey | NDYPVJHBSKUXPP-VWIBHASISA-N |
Product Overview
Pseudoirroratin A (CAS 407594-84-7), with molecular formula C20H28O5 and molecular weight 348.19 g/mol. IUPAC: (1S,4R,6S,9R,10R,12R,17S,18R)-4,10,18-trihydroxy-13,13-dimethyl-7-methylidene-3-oxapentacyclo[7.7.1.16,9.01,12.04,17]octadecan-8-one.
Chemical Property Profile of Pseudoirroratin A
Property Insights of Pseudoirroratin A
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pseudoirroratin A. The TPSA of 87.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Pseudoirroratin A. Following Lipinski's Rule of Five, Pseudoirroratin A has 3 hydrogen bond donor(s) and 5 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 Pseudoirroratin A?
The CAS number of Pseudoirroratin A is 407594-84-7.
What is the molecular formula of Pseudoirroratin A?
The molecular formula of Pseudoirroratin A is C20H28O5.
What is the molecular weight of Pseudoirroratin A?
The molecular weight of Pseudoirroratin A is 348.19 g/mol.
Where can I buy Pseudoirroratin A?
You can request a quote for Pseudoirroratin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pseudoirroratin A?
Yes, KEHONG BIO provides custom synthesis services for Pseudoirroratin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.