UPCMLD0ENAT5731417:001
TL;DR: UPCMLD0ENAT5731417:001 (CAS 442864-52-0) is a chemical compound with molecular formula C18H22N4O3S and molecular weight 374.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(3-hydroxypropylsulfanyl)-1,3-dimethyl-7-[(3-methylphenyl)methyl]purine-2,6-dione
Also Known As: UPCMLD0ENAT5731417:001, BAS 04914646, 8-((3-hydroxypropyl)thio)-1,3-dimethyl-7-(3-methylbenzyl)-1H-purine-2,6(3H,7H)-dione, AB00147670-02, AB00147670-03
| Molecular Formula | C18H22N4O3S |
|---|---|
| Molecular Weight | 374.14 g/mol |
| LogP | 1.26492 |
| Topological Polar Surface Area | 82.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 374.14127 |
| Heavy Atoms | 26 |
| Complexity | 1064.7091 |
Chemical Identifiers
| CAS Number | 442864-52-0 |
|---|---|
| SMILES | CC1=CC(=CC=C1)CN2C3=C(N=C2SCCCO)N(C(=O)N(C3=O)C)C |
Product Overview
UPCMLD0ENAT5731417:001 (CAS 442864-52-0), with molecular formula C18H22N4O3S and molecular weight 374.14 g/mol. IUPAC: 8-(3-hydroxypropylsulfanyl)-1,3-dimethyl-7-[(3-methylphenyl)methyl]purine-2,6-dione.
Chemical Property Profile of UPCMLD0ENAT5731417:001
Property Insights of UPCMLD0ENAT5731417:001
The XLogP value of 1.26492 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5731417:001. The TPSA of 82.05 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5731417:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5731417:001 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 UPCMLD0ENAT5731417:001?
The CAS number of UPCMLD0ENAT5731417:001 is 442864-52-0.
What is the molecular formula of UPCMLD0ENAT5731417:001?
The molecular formula of UPCMLD0ENAT5731417:001 is C18H22N4O3S.
What is the molecular weight of UPCMLD0ENAT5731417:001?
The molecular weight of UPCMLD0ENAT5731417:001 is 374.14 g/mol.
Where can I buy UPCMLD0ENAT5731417:001?
You can request a quote for UPCMLD0ENAT5731417:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5731417:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5731417:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.