UPCMLD0ENAT5837758:001
TL;DR: UPCMLD0ENAT5837758:001 (CAS 851941-50-9) is a chemical compound with molecular formula C22H30N6O3 and molecular weight 426.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[(4-benzylpiperazin-1-yl)methyl]-7-(3-hydroxypropyl)-1,3-dimethylpurine-2,6-dione
Also Known As: UPCMLD0ENAT5837758:001, 8-[(4-benzylpiperazin-1-yl)methyl]-7-(3-hydroxypropyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione, 8-[(4-benzylpiperazin-1-yl)methyl]-7-(3-hydroxypropyl)-1,3-dimethylpurine-2,6-dione, 8-[(4-benzylpiperazin-1-yl)methyl]-7-(3-hydroxypropyl)-1,3-dimethyl-purine-2,6-dione, 7-(3-hydroxypropyl)-1,3-dimethyl-8-{[4-benzylpiperazinyl]methyl}-1,3,7-trihydr opurine-2,6-dione
| Molecular Formula | C22H30N6O3 |
|---|---|
| Molecular Weight | 426.24 g/mol |
| LogP | 0.1339 |
| Topological Polar Surface Area | 88.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 426.23795 |
| Heavy Atoms | 31 |
| Complexity | 1155.9335 |
Chemical Identifiers
| CAS Number | 851941-50-9 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN3CCN(CC3)CC4=CC=CC=C4)CCCO |
Product Overview
UPCMLD0ENAT5837758:001 (CAS 851941-50-9), with molecular formula C22H30N6O3 and molecular weight 426.24 g/mol. IUPAC: 8-[(4-benzylpiperazin-1-yl)methyl]-7-(3-hydroxypropyl)-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of UPCMLD0ENAT5837758:001
Property Insights of UPCMLD0ENAT5837758:001
The XLogP value of 0.1339 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5837758:001. The TPSA of 88.53 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5837758:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5837758:001 has 1 hydrogen bond donor(s) and 6 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 UPCMLD0ENAT5837758:001?
The CAS number of UPCMLD0ENAT5837758:001 is 851941-50-9.
What is the molecular formula of UPCMLD0ENAT5837758:001?
The molecular formula of UPCMLD0ENAT5837758:001 is C22H30N6O3.
What is the molecular weight of UPCMLD0ENAT5837758:001?
The molecular weight of UPCMLD0ENAT5837758:001 is 426.24 g/mol.
Where can I buy UPCMLD0ENAT5837758:001?
You can request a quote for UPCMLD0ENAT5837758:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5837758:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5837758:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.