AY 31906
TL;DR: AY 31906 (CAS 124788-46-1) is a chemical compound with molecular formula C15H24N6O3S and molecular weight 368.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-amino-4-(2-bicyclo[2.2.1]heptanylamino)pyrimidin-5-yl]sulfonyl-3-propan-2-ylurea
Also Known As: AY 31906, AY-31,906, 1-[2-Amino-4-(2-bicyclo[2.2.1]heptanylamino)pyrimidin-5-yl]sulfonyl-3-propan-2-ylurea, 2-Amino-4-((bicylco(2.2.1)hept-2-yl)amino-N-((1-methylethyl)amino)carbonyl)-5-pyrimidinesulfonamide, 5-Pyrimidinesulfonamide, 2-amino-4-(bicyclo(2.2.1)hept-2-ylamino)-N-(((1-methylethyl)amino)carbonyl)-, exo-
| Molecular Formula | C15H24N6O3S |
|---|---|
| Molecular Weight | 368.16 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 147.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 368.16306 |
| Heavy Atoms | 25 |
| Complexity | 593.0 |
Chemical Identifiers
| CAS Number | 124788-46-1 |
|---|---|
| SMILES | CC(C)NC(=O)NS(=O)(=O)C1=CN=C(N=C1NC2CC3CCC2C3)N |
| InChIKey | ZJGXCMUCLPBLHI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
AY 31906 (CAS 124788-46-1), with molecular formula C15H24N6O3S and molecular weight 368.16 g/mol. IUPAC: 1-[2-amino-4-(2-bicyclo[2.2.1]heptanylamino)pyrimidin-5-yl]sulfonyl-3-propan-2-ylurea.
Chemical Property Profile of AY 31906
Property Insights of AY 31906
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AY 31906. The TPSA of 147.0 Ų indicates high polarity, suggesting AY 31906 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, AY 31906 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 AY 31906?
The CAS number of AY 31906 is 124788-46-1.
What is the molecular formula of AY 31906?
The molecular formula of AY 31906 is C15H24N6O3S.
What is the molecular weight of AY 31906?
The molecular weight of AY 31906 is 368.16 g/mol.
Where can I buy AY 31906?
You can request a quote for AY 31906 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AY 31906?
Yes, KEHONG BIO provides custom synthesis services for AY 31906 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.