Stellettin B
TL;DR: Stellettin B (CAS 184885-91-4) is a chemical compound with molecular formula C30H38O4 and molecular weight 462.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3Z,3aS,5aR,9aR,9bS)-3a,6,6,9a-tetramethyl-3-[(3E,5E)-6-(5-methyl-6-oxopyran-2-yl)hepta-3,5-dien-2-ylidene]-4,5,5a,8,9,9b-hexahydro-1H-cyclopenta[a]naphthalene-2,7-dione
Also Known As: Stellettin B, Stelletin B, HY-N13176, (3Z,3aS,5aR,9aR,9bS)-3a,6,6,9a-tetramethyl-3-[(3E,5E)-6-(5-methyl-6-oxopyran-2-yl)hepta-3,5-dien-2-ylidene]-4,5,5a,8,9,9b-hexahydro-1H-cyclopenta[a]naphthalene-2,7-dione, (3Z,3aS,5aR,9aR,9bS)-3a,6,6,9a-tetramethyl-3-((3E,5E)-6-(5-methyl-6-oxopyran-2-yl)hepta-3,5-dien-2-ylidene)-4,5,5a,8,9,9b-hexahydro-1H-cyclopenta(a)naphthalene-2,7-dione
| Molecular Formula | C30H38O4 |
|---|---|
| Molecular Weight | 462.28 g/mol |
| LogP | 6.62492 |
| Topological Polar Surface Area | 64.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 462.277 |
| Heavy Atoms | 34 |
| Complexity | 1190.4023 |
Chemical Identifiers
| CAS Number | 184885-91-4 |
|---|---|
| SMILES | CC1=CC=C(OC1=O)/C(=C/C=C/C(=C/2\C(=O)C[C@@H]3[C@@]2(CC[C@@H]4[C@@]3(CCC(=O)C4(C)C)C)C)/C)/C |
Product Overview
Stellettin B (CAS 184885-91-4), with molecular formula C30H38O4 and molecular weight 462.28 g/mol. IUPAC: (3Z,3aS,5aR,9aR,9bS)-3a,6,6,9a-tetramethyl-3-[(3E,5E)-6-(5-methyl-6-oxopyran-2-yl)hepta-3,5-dien-2-ylidene]-4,5,5a,8,9,9b-hexahydro-1H-cyclopenta[a]naphthalene-2,7-dione.
Chemical Property Profile of Stellettin B
Property Insights of Stellettin B
The XLogP value of 6.62492 indicates that Stellettin B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.35 Ų falls within the moderate polarity range, balancing permeability and solubility for Stellettin B. Following Lipinski's Rule of Five, Stellettin B has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Stellettin B?
The CAS number of Stellettin B is 184885-91-4.
What is the molecular formula of Stellettin B?
The molecular formula of Stellettin B is C30H38O4.
What is the molecular weight of Stellettin B?
The molecular weight of Stellettin B is 462.28 g/mol.
Where can I buy Stellettin B?
You can request a quote for Stellettin B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Stellettin B?
Yes, KEHONG BIO provides custom synthesis services for Stellettin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.