UPCMLD0ENAT5837454:001
TL;DR: UPCMLD0ENAT5837454:001 (CAS 851941-47-4) is a chemical compound with molecular formula C21H28N6O3 and molecular weight 412.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(3-hydroxypropyl)-1,3-dimethyl-8-[(4-phenylpiperazin-1-yl)methyl]purine-2,6-dione
Also Known As: UPCMLD0ENAT5837454:001, 7-(3-hydroxypropyl)-1,3-dimethyl-8-[(4-phenylpiperazin-1-yl)methyl]purine-2,6-dione, F0634-0609, 7-(3-hydroxypropyl)-1,3-dimethyl-8-[(4-phenylpiperazin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione, 7-(3-hydroxypropyl)-1,3-dimethyl-8-((4-phenylpiperazin-1-yl)methyl)-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C21H28N6O3 |
|---|---|
| Molecular Weight | 412.22 g/mol |
| LogP | 0.1383 |
| Topological Polar Surface Area | 88.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 412.2223 |
| Heavy Atoms | 30 |
| Complexity | 1139.4885 |
Chemical Identifiers
| CAS Number | 851941-47-4 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN3CCN(CC3)C4=CC=CC=C4)CCCO |
Product Overview
UPCMLD0ENAT5837454:001 (CAS 851941-47-4), with molecular formula C21H28N6O3 and molecular weight 412.22 g/mol. IUPAC: 7-(3-hydroxypropyl)-1,3-dimethyl-8-[(4-phenylpiperazin-1-yl)methyl]purine-2,6-dione.
Chemical Property Profile of UPCMLD0ENAT5837454:001
Property Insights of UPCMLD0ENAT5837454:001
The XLogP value of 0.1383 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5837454:001. The TPSA of 88.53 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5837454:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5837454:001 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 UPCMLD0ENAT5837454:001?
The CAS number of UPCMLD0ENAT5837454:001 is 851941-47-4.
What is the molecular formula of UPCMLD0ENAT5837454:001?
The molecular formula of UPCMLD0ENAT5837454:001 is C21H28N6O3.
What is the molecular weight of UPCMLD0ENAT5837454:001?
The molecular weight of UPCMLD0ENAT5837454:001 is 412.22 g/mol.
Where can I buy UPCMLD0ENAT5837454:001?
You can request a quote for UPCMLD0ENAT5837454:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5837454:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5837454:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.