Ccris 2085
TL;DR: Ccris 2085 (CAS 97170-07-5) is a chemical compound with molecular formula C19H16O3 and molecular weight 292.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R,5S,6S,7S)-19-methyl-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: syn-5-Methylchrysene-1,2-diol-3,4-epoxide, trans-1,2-Dihydroxy-anti-3,4-epoxy-1,2,3,4-tetrahydro-5-methylchrysene, (1alpha,2beta,2abeta,3abeta)-1,2,2a,3a-Tetrahydro-4-methylchryseno(3,4-b)oxirene-1,2-diol, (1-alpha,2-beta,2a-beta,3a-beta)-1,2,2a,3a-Tetrahydro-4-methylchryseno(3,4-b)oxirene-1,2-diol, Chryseno(3,4-b)oxirene-1,2-diol, 1,2,2a,3a-tetrahydro-4-methyl-, (1-alpha,2-beta,2a-beta,3a-beta)-
| Molecular Formula | C19H16O3 |
|---|---|
| Molecular Weight | 292.11 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 53.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 292.10995 |
| Heavy Atoms | 22 |
| Complexity | 452.0 |
Chemical Identifiers
| CAS Number | 97170-07-5 |
|---|---|
| SMILES | CC1=CC2=CC=CC=C2C3=C1C4=C(C=C3)[C@@H]([C@@H]([C@H]5[C@@H]4O5)O)O |
| InChIKey | ZSDQORKDUNMTQA-OKYOBFRVSA-N |
Product Overview
Ccris 2085 (CAS 97170-07-5), with molecular formula C19H16O3 and molecular weight 292.11 g/mol. IUPAC: (3R,5S,6S,7S)-19-methyl-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 2085
Property Insights of Ccris 2085
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ccris 2085. With a topological polar surface area (TPSA) of 53.0 Ų, Ccris 2085 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ccris 2085 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 2085?
The CAS number of Ccris 2085 is 97170-07-5.
What is the molecular formula of Ccris 2085?
The molecular formula of Ccris 2085 is C19H16O3.
What is the molecular weight of Ccris 2085?
The molecular weight of Ccris 2085 is 292.11 g/mol.
Where can I buy Ccris 2085?
You can request a quote for Ccris 2085 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ccris 2085?
Yes, KEHONG BIO provides custom synthesis services for Ccris 2085 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.