1,2-Chrysenediol, 1,2-dihydro-, diacetate, (1S-trans)-
TL;DR: 1,2-Chrysenediol, 1,2-dihydro-, diacetate, (1S-trans)- (CAS 80433-97-2) is a chemical compound with molecular formula C22H18O4 and molecular weight 346.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2S)-1-acetyloxy-1,2-dihydrochrysen-2-yl] acetate
Also Known As: cis-1,2-Diacetoxy-1,2-dihydrochrysene, 1,2-Dihydrochrysene-1,2-diyl diacetate, (1S,2S)-1,2-dihydrochrysene-1,2-diyl diacetate, 1,2-Chrysenediol, 1,2-dihydro-, diacetate, (1S-trans)-, [(1S,2S)-1-acetyloxy-1,2-dihydrochrysen-2-yl] acetate
| Molecular Formula | C22H18O4 |
|---|---|
| Molecular Weight | 346.12 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 346.1205 |
| Heavy Atoms | 26 |
| Complexity | 583.0 |
Chemical Identifiers
| CAS Number | 80433-97-2 |
|---|---|
| SMILES | CC(=O)O[C@H]1C=CC2=C([C@@H]1OC(=O)C)C=CC3=C2C=CC4=CC=CC=C43 |
| InChIKey | DQSVSHWAYAJCTK-VXKWHMMOSA-N |
Product Overview
1,2-Chrysenediol, 1,2-dihydro-, diacetate, (1S-trans)- (CAS 80433-97-2), with molecular formula C22H18O4 and molecular weight 346.12 g/mol. IUPAC: [(1S,2S)-1-acetyloxy-1,2-dihydrochrysen-2-yl] acetate.
Chemical Property Profile of 1,2-Chrysenediol, 1,2-dihydro-, diacetate, (1S-trans)-
Property Insights of 1,2-Chrysenediol, 1,2-dihydro-, diacetate, (1S-trans)-
The XLogP value of 4.4 indicates that 1,2-Chrysenediol, 1,2-dihydro-, diacetate, (1S-trans)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 1,2-Chrysenediol, 1,2-dihydro-, diacetate, (1S-trans)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Chrysenediol, 1,2-dihydro-, diacetate, (1S-trans)- has 0 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 1,2-Chrysenediol, 1,2-dihydro-, diacetate, (1S-trans)-?
The CAS number of 1,2-Chrysenediol, 1,2-dihydro-, diacetate, (1S-trans)- is 80433-97-2.
What is the molecular formula of 1,2-Chrysenediol, 1,2-dihydro-, diacetate, (1S-trans)-?
The molecular formula of 1,2-Chrysenediol, 1,2-dihydro-, diacetate, (1S-trans)- is C22H18O4.
What is the molecular weight of 1,2-Chrysenediol, 1,2-dihydro-, diacetate, (1S-trans)-?
The molecular weight of 1,2-Chrysenediol, 1,2-dihydro-, diacetate, (1S-trans)- is 346.12 g/mol.
Where can I buy 1,2-Chrysenediol, 1,2-dihydro-, diacetate, (1S-trans)-?
You can request a quote for 1,2-Chrysenediol, 1,2-dihydro-, diacetate, (1S-trans)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Chrysenediol, 1,2-dihydro-, diacetate, (1S-trans)-?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Chrysenediol, 1,2-dihydro-, diacetate, (1S-trans)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.