UPCMLD0ENAT5731117:001
TL;DR: UPCMLD0ENAT5731117:001 (CAS 130187-67-6) is a chemical compound with molecular formula C16H19N5O3 and molecular weight 329.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-benzyl-8-(2-hydroxyethylamino)-1,3-dimethylpurine-2,6-dione
Also Known As: UPCMLD0ENAT5731117:001, BAS 01547271, 7-benzyl-8-[(2-hydroxyethyl)amino]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 7-benzyl-8-(2-hydroxyethylamino)-1,3-dimethylpurine-2,6-dione, 7-Benzyl-8-((2-hydroxyethyl)amino)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C16H19N5O3 |
|---|---|
| Molecular Weight | 329.15 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 90.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 329.1488 |
| Heavy Atoms | 24 |
| Complexity | 482.0 |
Chemical Identifiers
| CAS Number | 130187-67-6 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCO)CC3=CC=CC=C3 |
| InChIKey | PWHQCIXEJMEGKP-UHFFFAOYSA-N |
Product Overview
UPCMLD0ENAT5731117:001 (CAS 130187-67-6), with molecular formula C16H19N5O3 and molecular weight 329.15 g/mol. IUPAC: 7-benzyl-8-(2-hydroxyethylamino)-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of UPCMLD0ENAT5731117:001
Property Insights of UPCMLD0ENAT5731117:001
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5731117:001. The TPSA of 90.7 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5731117:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5731117:001 has 2 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 UPCMLD0ENAT5731117:001?
The CAS number of UPCMLD0ENAT5731117:001 is 130187-67-6.
What is the molecular formula of UPCMLD0ENAT5731117:001?
The molecular formula of UPCMLD0ENAT5731117:001 is C16H19N5O3.
What is the molecular weight of UPCMLD0ENAT5731117:001?
The molecular weight of UPCMLD0ENAT5731117:001 is 329.15 g/mol.
Where can I buy UPCMLD0ENAT5731117:001?
You can request a quote for UPCMLD0ENAT5731117:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5731117:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5731117:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.