Uet2D5J4U2
TL;DR: Uet2D5J4U2 (CAS 83115-44-0) is a chemical compound with molecular formula C22H33BrO4 and molecular weight 440.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1aR,1bR,3R,3aR,5S,7bR,9R,9aR)-5-[(1R)-1-bromo-2-hydroxyethyl]-3-hydroxy-1a,5,7b-trimethyl-1,1b,2,3,3a,4,6,8,9,9a-decahydrocyclopropa[a]phenanthren-9-yl] acetate
Also Known As: Deoxyparguerol, KST-1A8707, (2, A,3, A,5
| Molecular Formula | C22H33BrO4 |
|---|---|
| Molecular Weight | 440.16 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 440.15622 |
| Heavy Atoms | 27 |
| Complexity | 677.0 |
Chemical Identifiers
| CAS Number | 83115-44-0 |
|---|---|
| SMILES | CC(=O)O[C@@H]1C[C@@]2([C@H](C[C@H]([C@H]3C2=CC[C@](C3)(C)[C@H](CO)Br)O)[C@@]4([C@H]1C4)C)C |
| InChIKey | UVYAPBDOYMZESV-UCUHEJSZSA-N |
Product Overview
Uet2D5J4U2 (CAS 83115-44-0), with molecular formula C22H33BrO4 and molecular weight 440.16 g/mol. IUPAC: [(1aR,1bR,3R,3aR,5S,7bR,9R,9aR)-5-[(1R)-1-bromo-2-hydroxyethyl]-3-hydroxy-1a,5,7b-trimethyl-1,1b,2,3,3a,4,6,8,9,9a-decahydrocyclopropa[a]phenanthren-9-yl] acetate.
Chemical Property Profile of Uet2D5J4U2
Property Insights of Uet2D5J4U2
The XLogP value of 3.4 indicates that Uet2D5J4U2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Uet2D5J4U2. Following Lipinski's Rule of Five, Uet2D5J4U2 has 2 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 Uet2D5J4U2?
The CAS number of Uet2D5J4U2 is 83115-44-0.
What is the molecular formula of Uet2D5J4U2?
The molecular formula of Uet2D5J4U2 is C22H33BrO4.
What is the molecular weight of Uet2D5J4U2?
The molecular weight of Uet2D5J4U2 is 440.16 g/mol.
Where can I buy Uet2D5J4U2?
You can request a quote for Uet2D5J4U2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Uet2D5J4U2?
Yes, KEHONG BIO provides custom synthesis services for Uet2D5J4U2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.