Benz(j)aceanthrylene-9,10-diol, 1,2,9,10-tetrahydro-6-methyl-, diacetate, trans-
TL;DR: Benz(j)aceanthrylene-9,10-diol, 1,2,9,10-tetrahydro-6-methyl-, diacetate, trans- (CAS 111238-23-4) is a chemical compound with molecular formula C25H22O4 and molecular weight 386.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(9S,10S)-10-acetyloxy-6-methyl-1,2,9,10-tetrahydrobenzo[j]aceanthrylen-9-yl] acetate
Also Known As: Benz(j)aceanthrylene-9,10-diol, 1,2,9,10-tetrahydro-6-methyl-, diacetate, trans-, 6-Methyl-1,2,9,10-tetrahydrocyclopenta[ij]tetraphene-9,10-diyl diacetate, (9S,10S)-6-methyl-1,2,9,10-tetrahydrocyclopenta[ij]tetraphene-9,10-diyl diacetate, [(9S,10S)-10-acetyloxy-6-methyl-1,2,9,10-tetrahydrobenzo[j]aceanthrylen-9-yl] acetate
| Molecular Formula | C25H22O4 |
|---|---|
| Molecular Weight | 386.15 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 386.1518 |
| Heavy Atoms | 29 |
| Complexity | 699.0 |
Chemical Identifiers
| CAS Number | 111238-23-4 |
|---|---|
| SMILES | CC1=C2C3=C(C=CC2=C4CCC5=C4C1=CC=C5)[C@@H]([C@H](C=C3)OC(=O)C)OC(=O)C |
| InChIKey | DOACDQKVTHNYSJ-DHLKQENFSA-N |
Product Overview
Benz(j)aceanthrylene-9,10-diol, 1,2,9,10-tetrahydro-6-methyl-, diacetate, trans- (CAS 111238-23-4), with molecular formula C25H22O4 and molecular weight 386.15 g/mol. IUPAC: [(9S,10S)-10-acetyloxy-6-methyl-1,2,9,10-tetrahydrobenzo[j]aceanthrylen-9-yl] acetate.
Chemical Property Profile of Benz(j)aceanthrylene-9,10-diol, 1,2,9,10-tetrahydro-6-methyl-, diacetate, trans-
Property Insights of Benz(j)aceanthrylene-9,10-diol, 1,2,9,10-tetrahydro-6-methyl-, diacetate, trans-
The XLogP value of 5.1 indicates that Benz(j)aceanthrylene-9,10-diol, 1,2,9,10-tetrahydro-6-methyl-, diacetate, 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, Benz(j)aceanthrylene-9,10-diol, 1,2,9,10-tetrahydro-6-methyl-, diacetate, trans- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benz(j)aceanthrylene-9,10-diol, 1,2,9,10-tetrahydro-6-methyl-, diacetate, trans- 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 Benz(j)aceanthrylene-9,10-diol, 1,2,9,10-tetrahydro-6-methyl-, diacetate, trans-?
The CAS number of Benz(j)aceanthrylene-9,10-diol, 1,2,9,10-tetrahydro-6-methyl-, diacetate, trans- is 111238-23-4.
What is the molecular formula of Benz(j)aceanthrylene-9,10-diol, 1,2,9,10-tetrahydro-6-methyl-, diacetate, trans-?
The molecular formula of Benz(j)aceanthrylene-9,10-diol, 1,2,9,10-tetrahydro-6-methyl-, diacetate, trans- is C25H22O4.
What is the molecular weight of Benz(j)aceanthrylene-9,10-diol, 1,2,9,10-tetrahydro-6-methyl-, diacetate, trans-?
The molecular weight of Benz(j)aceanthrylene-9,10-diol, 1,2,9,10-tetrahydro-6-methyl-, diacetate, trans- is 386.15 g/mol.
Where can I buy Benz(j)aceanthrylene-9,10-diol, 1,2,9,10-tetrahydro-6-methyl-, diacetate, trans-?
You can request a quote for Benz(j)aceanthrylene-9,10-diol, 1,2,9,10-tetrahydro-6-methyl-, diacetate, trans- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benz(j)aceanthrylene-9,10-diol, 1,2,9,10-tetrahydro-6-methyl-, diacetate, trans-?
Yes, KEHONG BIO provides custom synthesis services for Benz(j)aceanthrylene-9,10-diol, 1,2,9,10-tetrahydro-6-methyl-, diacetate, trans- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.