Ccris 5421
TL;DR: Ccris 5421 (CAS 85617-41-0) is a chemical compound with molecular formula C17H13NO3 and molecular weight 279.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-oxa-10-azapentacyclo[9.8.0.03,9.04,6.012,17]nonadeca-1,3(9),10,12,14,16,18-heptaene-7,8-diol
Also Known As: Deoxypentalenylglucuron, C17N13NO3, 1a,2,3,11b-tetrahydrobenzo[h]oxireno[a]acridine-2,3-diol, (+-)-10alpha,11beta-Dihydroxy-8alpha,9alpha-epoxy-8,9,10,11-tetrahydrobenz(c)acridine, (1aalpha,2alpha,3beta,11balpha)-1a,2,3,11b-Tetrahydrobenz(h)oxireno(a)acridine-2,3-diol
| Molecular Formula | C17H13NO3 |
|---|---|
| Molecular Weight | 279.09 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 65.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 279.08954 |
| Heavy Atoms | 21 |
| Complexity | 430.0 |
Chemical Identifiers
| CAS Number | 85617-41-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC3=CC4=C(C(C(C5C4O5)O)O)N=C32 |
| InChIKey | VCPRLARWVRVGNP-UHFFFAOYSA-N |
Product Overview
Ccris 5421 (CAS 85617-41-0), with molecular formula C17H13NO3 and molecular weight 279.09 g/mol. IUPAC: 5-oxa-10-azapentacyclo[9.8.0.03,9.04,6.012,17]nonadeca-1,3(9),10,12,14,16,18-heptaene-7,8-diol.
Chemical Property Profile of Ccris 5421
Property Insights of Ccris 5421
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ccris 5421. The TPSA of 65.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Ccris 5421. Following Lipinski's Rule of Five, Ccris 5421 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 Ccris 5421?
The CAS number of Ccris 5421 is 85617-41-0.
What is the molecular formula of Ccris 5421?
The molecular formula of Ccris 5421 is C17H13NO3.
What is the molecular weight of Ccris 5421?
The molecular weight of Ccris 5421 is 279.09 g/mol.
Where can I buy Ccris 5421?
You can request a quote for Ccris 5421 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ccris 5421?
Yes, KEHONG BIO provides custom synthesis services for Ccris 5421 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.