Picfeltarraenin IB
TL;DR: Picfeltarraenin IB (CAS 97230-46-1) is a chemical compound with molecular formula C42H64O14 and molecular weight 792.43 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-16-hydroxy-4,4,9,13,14-pentamethyl-11-oxo-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-5-propan-2-ylfuran-3-one
Also Known As: Picfeltarraenin IB, PicfeltarraeninIB, Piefeltarraenin ??B, Picfeltarraenin IB [M+H]+, NCI60_003660
| Molecular Formula | C42H64O14 |
|---|---|
| Molecular Weight | 792.43 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 222.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 7 |
| Exact Mass | 792.4296 |
| Heavy Atoms | 56 |
| Complexity | 1630.0 |
Chemical Identifiers
| CAS Number | 97230-46-1 |
|---|---|
| SMILES | CC1C(C(C(C(O1)OC2C(C(C(OC2OC3CCC4C(=CCC5C4(C(=O)CC6(C5(CC(C6C7(C(=O)C=C(O7)C(C)C)C)O)C)C)C)C3(C)C)CO)O)O)O)O)O |
| InChIKey | YRQJYHITIWJZQN-UHFFFAOYSA-N |
Product Overview
Picfeltarraenin IB (CAS 97230-46-1), with molecular formula C42H64O14 and molecular weight 792.43 g/mol. IUPAC: 2-[3-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-16-hydroxy-4,4,9,13,14-pentamethyl-11-oxo-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-5-propan-2-ylfuran-3-one.
Chemical Property Profile of Picfeltarraenin IB
Property Insights of Picfeltarraenin IB
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Picfeltarraenin IB. The TPSA of 222.0 Ų indicates high polarity, suggesting Picfeltarraenin IB may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Picfeltarraenin IB has 7 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Picfeltarraenin IB?
The CAS number of Picfeltarraenin IB is 97230-46-1.
What is the molecular formula of Picfeltarraenin IB?
The molecular formula of Picfeltarraenin IB is C42H64O14.
What is the molecular weight of Picfeltarraenin IB?
The molecular weight of Picfeltarraenin IB is 792.43 g/mol.
Where can I buy Picfeltarraenin IB?
You can request a quote for Picfeltarraenin IB directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Picfeltarraenin IB?
Yes, KEHONG BIO provides custom synthesis services for Picfeltarraenin IB and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.