UPCMLD0ENAT5731945:001
TL;DR: UPCMLD0ENAT5731945:001 (CAS 873076-73-4) is a chemical compound with molecular formula C18H18ClN5O3 and molecular weight 387.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(4-chlorophenyl)-1-methyl-3-(2-oxopropyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
Also Known As: UPCMLD0ENAT5731945:001, BAS 12521306, VU0489876-1, F2013-0196, 9-(4-chlorophenyl)-1-methyl-3-(2-oxopropyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
| Molecular Formula | C18H18ClN5O3 |
|---|---|
| Molecular Weight | 387.11 g/mol |
| LogP | 1.6809 |
| Topological Polar Surface Area | 82.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 387.1098 |
| Heavy Atoms | 27 |
| Complexity | 1172.9009 |
Chemical Identifiers
| CAS Number | 873076-73-4 |
|---|---|
| SMILES | CC(=O)CN1C(=O)C2=C(N=C3N2CCCN3C4=CC=C(C=C4)Cl)N(C1=O)C |
Product Overview
UPCMLD0ENAT5731945:001 (CAS 873076-73-4), with molecular formula C18H18ClN5O3 and molecular weight 387.11 g/mol. IUPAC: 9-(4-chlorophenyl)-1-methyl-3-(2-oxopropyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione.
Chemical Property Profile of UPCMLD0ENAT5731945:001
Property Insights of UPCMLD0ENAT5731945:001
The XLogP value of 1.6809 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5731945:001. The TPSA of 82.13 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5731945:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5731945:001 has 0 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 UPCMLD0ENAT5731945:001?
The CAS number of UPCMLD0ENAT5731945:001 is 873076-73-4.
What is the molecular formula of UPCMLD0ENAT5731945:001?
The molecular formula of UPCMLD0ENAT5731945:001 is C18H18ClN5O3.
What is the molecular weight of UPCMLD0ENAT5731945:001?
The molecular weight of UPCMLD0ENAT5731945:001 is 387.11 g/mol.
Where can I buy UPCMLD0ENAT5731945:001?
You can request a quote for UPCMLD0ENAT5731945:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5731945:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5731945:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.