Ccris 4083
TL;DR: Ccris 4083 (CAS 60262-87-5) is a chemical compound with molecular formula C26H20O7 and molecular weight 444.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,4S,5R)-6-benzo[a]pyren-9-yloxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Also Known As: Benzo(a)pyrene-9-glucuronide, Benzo(a)pyrenyl-9-glucuronide, BENZO[A]PYRENE-9-GLUCURONIDE, Benzo[pqr]tetraphen-9-yl hexopyranosiduronic acid, Benzo[pqr]tetraphen-9-yl D-glucopyranosiduronic acid
| Molecular Formula | C26H20O7 |
|---|---|
| Molecular Weight | 444.12 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 444.1209 |
| Heavy Atoms | 33 |
| Complexity | 744.0 |
Chemical Identifiers
| CAS Number | 60262-87-5 |
|---|---|
| SMILES | C1=CC2=C3C(=C1)C=CC4=C5C=C(C=CC5=CC(=C43)C=C2)OC6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O |
| InChIKey | XEDZOKHSJROQER-BFZHNPFYSA-N |
Product Overview
Ccris 4083 (CAS 60262-87-5), with molecular formula C26H20O7 and molecular weight 444.12 g/mol. IUPAC: (2S,3S,4S,5R)-6-benzo[a]pyren-9-yloxy-3,4,5-trihydroxyoxane-2-carboxylic acid.
Chemical Property Profile of Ccris 4083
Property Insights of Ccris 4083
The XLogP value of 4.4 indicates that Ccris 4083 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ccris 4083. Following Lipinski's Rule of Five, Ccris 4083 has 4 hydrogen bond donor(s) and 7 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 4083?
The CAS number of Ccris 4083 is 60262-87-5.
What is the molecular formula of Ccris 4083?
The molecular formula of Ccris 4083 is C26H20O7.
What is the molecular weight of Ccris 4083?
The molecular weight of Ccris 4083 is 444.12 g/mol.
Where can I buy Ccris 4083?
You can request a quote for Ccris 4083 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ccris 4083?
Yes, KEHONG BIO provides custom synthesis services for Ccris 4083 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.