3-Oxo-6betaH-11beta-phenylselenoeudesm-1,4-dien-6,13-olide
TL;DR: 3-Oxo-6betaH-11beta-phenylselenoeudesm-1,4-dien-6,13-olide (CAS 66726-12-3) is a chemical compound with molecular formula C21H22O3Se and molecular weight 402.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R,3aR,5aS,9bS)-3,5a,9-trimethyl-3-phenylselanyl-3a,4,5,9b-tetrahydrobenzo[g][1]benzofuran-2,8-dione
Also Known As: 3-oxo-6betaH-11beta-phenylselenoeudesm-1,4-dien-6,13-olide, (3R,3aR,5aS,9bS)-3,5a,9-Trimethyl-3-(phenylselanyl)-3a,5,5a,9b-tetrahydronaphtho[1,2-b]furan-2,8(3H,4H)-dione, (3R,3aR,5aS,9bS)-3,5a,9-trimethyl-3-phenylselanyl-3a,4,5,9b-tetrahydrobenzo[g][1]benzofuran-2,8-dione, 3,5a,9-Trimethyl-3-(phenylselanyl)-3a,5,5a,9b-tetrahydronaphtho[1,2-b]furan-2,8(3H,4H)-dione, Naphtho(1,2-b)furan-2,8(3H,4H)-dione, 3a,5,5a,9b-tetrahydro-3,5a,9-trimethyl-3-(phenylseleno)-, (3R-(3alpha,3abeta,5aalpha,9balpha))-
| Molecular Formula | C21H22O3Se |
|---|---|
| Molecular Weight | 402.07 g/mol |
| LogP | 2.9918 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 402.07343 |
| Heavy Atoms | 25 |
| Complexity | 673.0 |
Chemical Identifiers
| CAS Number | 66726-12-3 |
|---|---|
| SMILES | CC1=C2[C@@H]3[C@@H](CC[C@]2(C=CC1=O)C)[C@@](C(=O)O3)(C)[Se]C4=CC=CC=C4 |
| InChIKey | ZPRVZYBQBUIJJN-WUHBCXKYSA-N |
Product Overview
3-Oxo-6betaH-11beta-phenylselenoeudesm-1,4-dien-6,13-olide (CAS 66726-12-3), with molecular formula C21H22O3Se and molecular weight 402.07 g/mol. IUPAC: (3R,3aR,5aS,9bS)-3,5a,9-trimethyl-3-phenylselanyl-3a,4,5,9b-tetrahydrobenzo[g][1]benzofuran-2,8-dione.
Chemical Property Profile of 3-Oxo-6betaH-11beta-phenylselenoeudesm-1,4-dien-6,13-olide
Property Insights of 3-Oxo-6betaH-11beta-phenylselenoeudesm-1,4-dien-6,13-olide
The XLogP value of 2.9918 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Oxo-6betaH-11beta-phenylselenoeudesm-1,4-dien-6,13-olide. With a topological polar surface area (TPSA) of 43.4 Ų, 3-Oxo-6betaH-11beta-phenylselenoeudesm-1,4-dien-6,13-olide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Oxo-6betaH-11beta-phenylselenoeudesm-1,4-dien-6,13-olide has 0 hydrogen bond donor(s) and 3 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 3-Oxo-6betaH-11beta-phenylselenoeudesm-1,4-dien-6,13-olide?
The CAS number of 3-Oxo-6betaH-11beta-phenylselenoeudesm-1,4-dien-6,13-olide is 66726-12-3.
What is the molecular formula of 3-Oxo-6betaH-11beta-phenylselenoeudesm-1,4-dien-6,13-olide?
The molecular formula of 3-Oxo-6betaH-11beta-phenylselenoeudesm-1,4-dien-6,13-olide is C21H22O3Se.
What is the molecular weight of 3-Oxo-6betaH-11beta-phenylselenoeudesm-1,4-dien-6,13-olide?
The molecular weight of 3-Oxo-6betaH-11beta-phenylselenoeudesm-1,4-dien-6,13-olide is 402.07 g/mol.
Where can I buy 3-Oxo-6betaH-11beta-phenylselenoeudesm-1,4-dien-6,13-olide?
You can request a quote for 3-Oxo-6betaH-11beta-phenylselenoeudesm-1,4-dien-6,13-olide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Oxo-6betaH-11beta-phenylselenoeudesm-1,4-dien-6,13-olide?
Yes, KEHONG BIO provides custom synthesis services for 3-Oxo-6betaH-11beta-phenylselenoeudesm-1,4-dien-6,13-olide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.