Ccris 2842
TL;DR: Ccris 2842 (CAS 119613-62-6) is a chemical compound with molecular formula C20H18O3 and molecular weight 306.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,5R,6R,7S)-19-ethyl-4-oxapentacyclo[9.8.0.02,8.03,5.012,17]nonadeca-1(11),2(8),9,12,14,16,18-heptaene-6,7-diol
Also Known As: anti-5-Ethylchrysene-1,2-diol-3,4-epoxide, anti-1,2,3,4-Tetrahydro-5-ethylchrysene-1,2-diol-3,4-epoxide, Chryseno(3,4-b)oxirene-1,2-diol, 1,2,2a,3a-tetrahydro-4-ethyl-, (1-alpha,2-beta,2a-alpha,3a-alpha)-, 10-Ethyl-7,8,8a,9a-tetrahydrochryseno[3,4-b]oxirene-7,8-diol, (7S,8R,8aR,9aS)-10-ethyl-7,8,8a,9a-tetrahydrochryseno[3,4-b]oxirene-7,8-diol
| Molecular Formula | C20H18O3 |
|---|---|
| Molecular Weight | 306.13 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 53.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 306.12558 |
| Heavy Atoms | 23 |
| Complexity | 466.0 |
Chemical Identifiers
| CAS Number | 119613-62-6 |
|---|---|
| SMILES | CCC1=CC2=CC=CC=C2C3=C1C4=C(C=C3)[C@@H]([C@H]([C@@H]5[C@H]4O5)O)O |
| InChIKey | ZOMUTGKQGAVKSY-ZGXWSNOMSA-N |
Product Overview
Ccris 2842 (CAS 119613-62-6), with molecular formula C20H18O3 and molecular weight 306.13 g/mol. IUPAC: (3S,5R,6R,7S)-19-ethyl-4-oxapentacyclo[9.8.0.02,8.03,5.012,17]nonadeca-1(11),2(8),9,12,14,16,18-heptaene-6,7-diol.
Chemical Property Profile of Ccris 2842
Property Insights of Ccris 2842
The XLogP value of 3.0 indicates that Ccris 2842 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.0 Ų, Ccris 2842 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ccris 2842 has 2 hydrogen bond donor(s) and 3 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 Ccris 2842?
The CAS number of Ccris 2842 is 119613-62-6.
What is the molecular formula of Ccris 2842?
The molecular formula of Ccris 2842 is C20H18O3.
What is the molecular weight of Ccris 2842?
The molecular weight of Ccris 2842 is 306.13 g/mol.
Where can I buy Ccris 2842?
You can request a quote for Ccris 2842 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ccris 2842?
Yes, KEHONG BIO provides custom synthesis services for Ccris 2842 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.