UPCMLD0ENAT5832981:001
TL;DR: UPCMLD0ENAT5832981:001 (CAS 332099-02-2) is a chemical compound with molecular formula C12H17N5O3 and molecular weight 279.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(2-hydroxyethylamino)-3-methyl-7-(2-methylprop-2-enyl)purine-2,6-dione
Also Known As: UPCMLD0ENAT5832981:001, BAS 01108704, J3.781.068A, AB00137231-02, 8-[(2-hydroxyethyl)amino]-3-methyl-7-(2-methylprop-2-en-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C12H17N5O3 |
|---|---|
| Molecular Weight | 279.13 g/mol |
| LogP | -0.5964 |
| Topological Polar Surface Area | 104.94 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 279.13315 |
| Heavy Atoms | 20 |
| Complexity | 767.7164 |
Chemical Identifiers
| CAS Number | 332099-02-2 |
|---|---|
| SMILES | CC(=C)CN1C2=C(N=C1NCCO)N(C(=O)NC2=O)C |
Product Overview
UPCMLD0ENAT5832981:001 (CAS 332099-02-2), with molecular formula C12H17N5O3 and molecular weight 279.13 g/mol. IUPAC: 8-(2-hydroxyethylamino)-3-methyl-7-(2-methylprop-2-enyl)purine-2,6-dione.
Chemical Property Profile of UPCMLD0ENAT5832981:001
Property Insights of UPCMLD0ENAT5832981:001
The XLogP value of -0.5964 indicates that UPCMLD0ENAT5832981:001 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 104.94 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5832981:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5832981:001 has 3 hydrogen bond donor(s) and 5 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 UPCMLD0ENAT5832981:001?
The CAS number of UPCMLD0ENAT5832981:001 is 332099-02-2.
What is the molecular formula of UPCMLD0ENAT5832981:001?
The molecular formula of UPCMLD0ENAT5832981:001 is C12H17N5O3.
What is the molecular weight of UPCMLD0ENAT5832981:001?
The molecular weight of UPCMLD0ENAT5832981:001 is 279.13 g/mol.
Where can I buy UPCMLD0ENAT5832981:001?
You can request a quote for UPCMLD0ENAT5832981:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5832981:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5832981:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.