GL331
TL;DR: GL331 (CAS 127882-73-9) is a chemical compound with molecular formula C27H24N2O9 and molecular weight 520.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5S,5aS,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5-(4-nitroanilino)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one
Also Known As: GL331, GL 331, W-68, (5S,5aS,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5-(4-nitroanilino)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one, 4'-demethyl-4-p-nitroaniline-4-desoxypodophyllotoxin
| Molecular Formula | C27H24N2O9 |
|---|---|
| Molecular Weight | 520.15 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 141.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 520.1482 |
| Heavy Atoms | 38 |
| Complexity | 863.0 |
Chemical Identifiers
| CAS Number | 127882-73-9 |
|---|---|
| SMILES | COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)NC6=CC=C(C=C6)[N+](=O)[O-] |
| InChIKey | DLROLUIVVKTFPW-LVEBQJTPSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
GL331 (CAS 127882-73-9), with molecular formula C27H24N2O9 and molecular weight 520.15 g/mol. IUPAC: (5S,5aS,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5-(4-nitroanilino)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one.
Chemical Property Profile of GL331
Property Insights of GL331
The XLogP value of 3.9 indicates that GL331 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 141.0 Ų indicates high polarity, suggesting GL331 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, GL331 has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of GL331?
The CAS number of GL331 is 127882-73-9.
What is the molecular formula of GL331?
The molecular formula of GL331 is C27H24N2O9.
What is the molecular weight of GL331?
The molecular weight of GL331 is 520.15 g/mol.
Where can I buy GL331?
You can request a quote for GL331 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for GL331?
Yes, KEHONG BIO provides custom synthesis services for GL331 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.