UPCMLD0ENAT5731404:001
TL;DR: UPCMLD0ENAT5731404:001 (CAS 442865-01-2) is a chemical compound with molecular formula C17H19ClN4O3S and molecular weight 394.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(2-chlorophenyl)methyl]-8-(3-hydroxypropylsulfanyl)-1,3-dimethylpurine-2,6-dione
Also Known As: UPCMLD0ENAT5731404:001, 7-(2-chlorobenzyl)-8-((3-hydroxypropyl)thio)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione, AB00392858-04, F1191-0121, 7-[(2-chlorophenyl)methyl]-8-(3-hydroxypropylsulfanyl)-1,3-dimethylpurine-2,6-dione
| Molecular Formula | C17H19ClN4O3S |
|---|---|
| Molecular Weight | 394.09 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 394.08664 |
| Heavy Atoms | 26 |
| Complexity | 540.0 |
Chemical Identifiers
| CAS Number | 442865-01-2 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCCCO)CC3=CC=CC=C3Cl |
| InChIKey | GIAPQSNCTCTTML-UHFFFAOYSA-N |
Product Overview
UPCMLD0ENAT5731404:001 (CAS 442865-01-2), with molecular formula C17H19ClN4O3S and molecular weight 394.09 g/mol. IUPAC: 7-[(2-chlorophenyl)methyl]-8-(3-hydroxypropylsulfanyl)-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of UPCMLD0ENAT5731404:001
Property Insights of UPCMLD0ENAT5731404:001
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5731404:001. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5731404:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5731404:001 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 UPCMLD0ENAT5731404:001?
The CAS number of UPCMLD0ENAT5731404:001 is 442865-01-2.
What is the molecular formula of UPCMLD0ENAT5731404:001?
The molecular formula of UPCMLD0ENAT5731404:001 is C17H19ClN4O3S.
What is the molecular weight of UPCMLD0ENAT5731404:001?
The molecular weight of UPCMLD0ENAT5731404:001 is 394.09 g/mol.
Where can I buy UPCMLD0ENAT5731404:001?
You can request a quote for UPCMLD0ENAT5731404:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5731404:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5731404:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.