UPCMLD0ENAT5782298:001
TL;DR: UPCMLD0ENAT5782298:001 (CAS 893956-53-1) is a chemical compound with molecular formula C17H18ClN5O3 and molecular weight 375.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-chlorophenyl)-2-(3-hydroxypropyl)-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione
Also Known As: UPCMLD0ENAT5782298:001, 6-(4-chlorophenyl)-2-(3-hydroxypropyl)-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione, 8-(4-chlorophenyl)-3-(3-hydroxypropyl)-1-methyl-1,3,5-trihydroimidazolidino[1, 2-h]purine-2,4-dione, 8-(4-chlorophenyl)-3-(3-hydroxypropyl)-1-methyl-7,8-dihydro-1H-imidazo[2,1-f]purine-2,4(3H,6H)-dione
| Molecular Formula | C17H18ClN5O3 |
|---|---|
| Molecular Weight | 375.11 g/mol |
| LogP | 1.0842 |
| Topological Polar Surface Area | 85.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 375.1098 |
| Heavy Atoms | 26 |
| Complexity | 1096.7594 |
Chemical Identifiers
| CAS Number | 893956-53-1 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)CCCO)N3CCN(C3=N2)C4=CC=C(C=C4)Cl |
Product Overview
UPCMLD0ENAT5782298:001 (CAS 893956-53-1), with molecular formula C17H18ClN5O3 and molecular weight 375.11 g/mol. IUPAC: 6-(4-chlorophenyl)-2-(3-hydroxypropyl)-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione.
Chemical Property Profile of UPCMLD0ENAT5782298:001
Property Insights of UPCMLD0ENAT5782298:001
The XLogP value of 1.0842 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5782298:001. The TPSA of 85.29 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5782298:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5782298:001 has 1 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 UPCMLD0ENAT5782298:001?
The CAS number of UPCMLD0ENAT5782298:001 is 893956-53-1.
What is the molecular formula of UPCMLD0ENAT5782298:001?
The molecular formula of UPCMLD0ENAT5782298:001 is C17H18ClN5O3.
What is the molecular weight of UPCMLD0ENAT5782298:001?
The molecular weight of UPCMLD0ENAT5782298:001 is 375.11 g/mol.
Where can I buy UPCMLD0ENAT5782298:001?
You can request a quote for UPCMLD0ENAT5782298:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5782298:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5782298:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.