UPCMLD0ENAT5795456:001
TL;DR: UPCMLD0ENAT5795456:001 (CAS 873076-74-5) is a chemical compound with molecular formula C18H20ClN5O3 and molecular weight 389.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(4-chlorophenyl)-3-(2-methoxyethyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
Also Known As: UPCMLD0ENAT5795456:001, BAS 12521307, 9-(4-chlorophenyl)-3-(2-methoxyethyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione, F2013-0197, 9-(4-chlorophenyl)-3-(2-methoxyethyl)-1-methyl-1,3,5-trihydro-6H,7H,8H-1,3-dia zaperhydroino[1,2-h]purine-2,4-dione
| Molecular Formula | C18H20ClN5O3 |
|---|---|
| Molecular Weight | 389.13 g/mol |
| LogP | 1.7383 |
| Topological Polar Surface Area | 74.29 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 389.12546 |
| Heavy Atoms | 27 |
| Complexity | 1113.2031 |
Chemical Identifiers
| CAS Number | 873076-74-5 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)CCOC)N3CCCN(C3=N2)C4=CC=C(C=C4)Cl |
Product Overview
UPCMLD0ENAT5795456:001 (CAS 873076-74-5), with molecular formula C18H20ClN5O3 and molecular weight 389.13 g/mol. IUPAC: 9-(4-chlorophenyl)-3-(2-methoxyethyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione.
Chemical Property Profile of UPCMLD0ENAT5795456:001
Property Insights of UPCMLD0ENAT5795456:001
The XLogP value of 1.7383 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5795456:001. The TPSA of 74.29 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5795456:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5795456:001 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 UPCMLD0ENAT5795456:001?
The CAS number of UPCMLD0ENAT5795456:001 is 873076-74-5.
What is the molecular formula of UPCMLD0ENAT5795456:001?
The molecular formula of UPCMLD0ENAT5795456:001 is C18H20ClN5O3.
What is the molecular weight of UPCMLD0ENAT5795456:001?
The molecular weight of UPCMLD0ENAT5795456:001 is 389.13 g/mol.
Where can I buy UPCMLD0ENAT5795456:001?
You can request a quote for UPCMLD0ENAT5795456:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5795456:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5795456:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.