UPCMLD0ENAT5731314:001
TL;DR: UPCMLD0ENAT5731314:001 (CAS 442864-82-6) is a chemical compound with molecular formula C20H24ClN5O3S and molecular weight 449.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-(2-morpholin-4-ylethylsulfanyl)purine-2,6-dione
Also Known As: UPCMLD0ENAT5731314:001, AB00434751-04, 7-(2-chlorobenzyl)-1,3-dimethyl-8-((2-morpholinoethyl)thio)-1H-purine-2,6(3H,7H)-dione, F1191-0093, 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-(2-morpholin-4-ylethylsulfanyl)purine-2,6-dione
| Molecular Formula | C20H24ClN5O3S |
|---|---|
| Molecular Weight | 449.13 g/mol |
| LogP | 1.5597 |
| Topological Polar Surface Area | 74.29 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 449.12885 |
| Heavy Atoms | 30 |
| Complexity | 1179.6243 |
Chemical Identifiers
| CAS Number | 442864-82-6 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCCN3CCOCC3)CC4=CC=CC=C4Cl |
Product Overview
UPCMLD0ENAT5731314:001 (CAS 442864-82-6), with molecular formula C20H24ClN5O3S and molecular weight 449.13 g/mol. IUPAC: 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-(2-morpholin-4-ylethylsulfanyl)purine-2,6-dione.
Chemical Property Profile of UPCMLD0ENAT5731314:001
Property Insights of UPCMLD0ENAT5731314:001
The XLogP value of 1.5597 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5731314:001. The TPSA of 74.29 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5731314:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5731314:001 has 0 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 UPCMLD0ENAT5731314:001?
The CAS number of UPCMLD0ENAT5731314:001 is 442864-82-6.
What is the molecular formula of UPCMLD0ENAT5731314:001?
The molecular formula of UPCMLD0ENAT5731314:001 is C20H24ClN5O3S.
What is the molecular weight of UPCMLD0ENAT5731314:001?
The molecular weight of UPCMLD0ENAT5731314:001 is 449.13 g/mol.
Where can I buy UPCMLD0ENAT5731314:001?
You can request a quote for UPCMLD0ENAT5731314:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5731314:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5731314:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.