Pentalenolactone P
TL;DR: Pentalenolactone P (CAS 93361-68-3) is a chemical compound with molecular formula C15H16O5 and molecular weight 276.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,3R,5S,6R,9R,13R)-3-methyl-12-oxospiro[11-oxatetracyclo[7.4.0.01,6.03,5]tridec-7-ene-13,2'-oxirane]-8-carboxylic acid
Also Known As: Pentalenolactone P, (1R,3R,5S,6R,9R,13R)-3-methyl-12-oxospiro[11-oxatetracyclo[7.4.0.01,6.03,5]tridec-7-ene-13,2'-oxirane]-8-carboxylic acid, Spiro(4H-cyclopropa(4,5)pentaleno(1,6a-c)pyran-1(2H),2'-oxirane)-5-carboxylic acid, 4a,6a,6b,7,7a,8-hexahydro-7a-methyl-2-oxo-, (1R-(1alpha,4aalpha,6abeta,6bbeta,7abeta,8aR*))-, (1R,3R,5S,6R,9R,13R)-3-methyl-12-oxospiro(11-oxatetracyclo(7.4.0.01,6.03,5)tridec-7-ene-13,2'-oxirane)-8-carboxylic acid, (1R,4aR,6aR,6bS,7aR,8aR)-7a-Methyl-2-oxo-4a,6a,6b,7,7a,8-hexahydro-2H,4H-spiro[cyclopropa[4,5]pentaleno[1,6a-c]pyran-1,2'-oxirane]-5-carboxylic acid
| Molecular Formula | C15H16O5 |
|---|---|
| Molecular Weight | 276.10 g/mol |
| LogP | 0.9855 |
| Topological Polar Surface Area | 76.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 276.09976 |
| Heavy Atoms | 20 |
| Complexity | 603.38513 |
Chemical Identifiers
| CAS Number | 93361-68-3 |
|---|---|
| SMILES | C[C@]12C[C@H]1[C@H]3C=C([C@H]4[C@]3(C2)[C@@]5(CO5)C(=O)OC4)C(=O)O |
Product Overview
Pentalenolactone P (CAS 93361-68-3), with molecular formula C15H16O5 and molecular weight 276.10 g/mol. IUPAC: (1R,3R,5S,6R,9R,13R)-3-methyl-12-oxospiro[11-oxatetracyclo[7.4.0.01,6.03,5]tridec-7-ene-13,2'-oxirane]-8-carboxylic acid.
Chemical Property Profile of Pentalenolactone P
Property Insights of Pentalenolactone P
The XLogP value of 0.9855 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pentalenolactone P. The TPSA of 76.13 Ų falls within the moderate polarity range, balancing permeability and solubility for Pentalenolactone P. Following Lipinski's Rule of Five, Pentalenolactone P 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 Pentalenolactone P?
The CAS number of Pentalenolactone P is 93361-68-3.
What is the molecular formula of Pentalenolactone P?
The molecular formula of Pentalenolactone P is C15H16O5.
What is the molecular weight of Pentalenolactone P?
The molecular weight of Pentalenolactone P is 276.10 g/mol.
Where can I buy Pentalenolactone P?
You can request a quote for Pentalenolactone P directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentalenolactone P?
Yes, KEHONG BIO provides custom synthesis services for Pentalenolactone P and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.