Org 5222 glucuronide
TL;DR: Org 5222 glucuronide (CAS 128923-28-4) is a chemical compound with molecular formula C23H22ClNO9 and molecular weight 491.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,4S,5R,6S)-6-(9-chloro-13-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7(12),8,10,14,16-hexaene-4-carbonyl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Also Known As: Org 5222 glucuronide, Org-5222-glucuronide, (2S,3S,4S,5R,6S)-6-(9-chloro-13-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7(12),8,10,14,16-hexaene-4-carbonyl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid, beta-D-Glucopyranuronic acid, 1-(5-chloro-1,3,3a,12b-tetrahydro-2H-dibenz(2,3:6,7)oxepino(4,5-c)pyrrole-2-carboxylate), 1-O-(5-Chloro-1,3,3a,12b-tetrahydro-2H-dibenzo[2,3:6,7]oxepino[4,5-c]pyrrole-2-carbonyl)-beta-D-glucopyranuronic acid
| Molecular Formula | C23H22ClNO9 |
|---|---|
| Molecular Weight | 491.10 g/mol |
| LogP | 1.6575 |
| Topological Polar Surface Area | 145.99 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 491.0983 |
| Heavy Atoms | 34 |
| Complexity | 1127.3696 |
Chemical Identifiers
| CAS Number | 128923-28-4 |
|---|---|
| SMILES | C1C2C(CN1C(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)C4=C(C=CC(=C4)Cl)OC5=CC=CC=C25 |
Product Overview
Org 5222 glucuronide (CAS 128923-28-4), with molecular formula C23H22ClNO9 and molecular weight 491.10 g/mol. IUPAC: (2S,3S,4S,5R,6S)-6-(9-chloro-13-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7(12),8,10,14,16-hexaene-4-carbonyl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid.
Chemical Property Profile of Org 5222 glucuronide
Property Insights of Org 5222 glucuronide
The XLogP value of 1.6575 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Org 5222 glucuronide. The TPSA of 145.99 Ų indicates high polarity, suggesting Org 5222 glucuronide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Org 5222 glucuronide has 4 hydrogen bond donor(s) and 8 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 Org 5222 glucuronide?
The CAS number of Org 5222 glucuronide is 128923-28-4.
What is the molecular formula of Org 5222 glucuronide?
The molecular formula of Org 5222 glucuronide is C23H22ClNO9.
What is the molecular weight of Org 5222 glucuronide?
The molecular weight of Org 5222 glucuronide is 491.10 g/mol.
Where can I buy Org 5222 glucuronide?
You can request a quote for Org 5222 glucuronide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Org 5222 glucuronide?
Yes, KEHONG BIO provides custom synthesis services for Org 5222 glucuronide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.