UPCMLD0ENAT5801457:001
TL;DR: UPCMLD0ENAT5801457:001 (CAS 896808-70-1) is a chemical compound with molecular formula C19H20ClN5O3 and molecular weight 401.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(3-chlorophenyl)-2-(3-hydroxypropyl)-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione
Also Known As: UPCMLD0ENAT5801457:001, 8-(3-chlorophenyl)-3-(3-hydroxypropyl)-1,6,7-trimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione, F3235-0054, 6-(3-chlorophenyl)-2-(3-hydroxypropyl)-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione, 8-(3-chlorophenyl)-3-(3-hydroxypropyl)-1,6,7-trimethyl-1,3,5-trihydro-4-imidaz olino[1,2-h]purine-2,4-dione
| Molecular Formula | C19H20ClN5O3 |
|---|---|
| Molecular Weight | 401.13 g/mol |
| LogP | 1.79124 |
| Topological Polar Surface Area | 86.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 401.12546 |
| Heavy Atoms | 28 |
| Complexity | 1342.0907 |
Chemical Identifiers
| CAS Number | 896808-70-1 |
|---|---|
| SMILES | CC1=C(N2C3=C(N=C2N1C4=CC(=CC=C4)Cl)N(C(=O)N(C3=O)CCCO)C)C |
Product Overview
UPCMLD0ENAT5801457:001 (CAS 896808-70-1), with molecular formula C19H20ClN5O3 and molecular weight 401.13 g/mol. IUPAC: 6-(3-chlorophenyl)-2-(3-hydroxypropyl)-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione.
Chemical Property Profile of UPCMLD0ENAT5801457:001
Property Insights of UPCMLD0ENAT5801457:001
The XLogP value of 1.79124 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5801457:001. The TPSA of 86.46 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5801457:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5801457:001 has 1 hydrogen bond donor(s) and 4 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 UPCMLD0ENAT5801457:001?
The CAS number of UPCMLD0ENAT5801457:001 is 896808-70-1.
What is the molecular formula of UPCMLD0ENAT5801457:001?
The molecular formula of UPCMLD0ENAT5801457:001 is C19H20ClN5O3.
What is the molecular weight of UPCMLD0ENAT5801457:001?
The molecular weight of UPCMLD0ENAT5801457:001 is 401.13 g/mol.
Where can I buy UPCMLD0ENAT5801457:001?
You can request a quote for UPCMLD0ENAT5801457:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5801457:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5801457:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.