UPCMLD0ENAT5843112:001
TL;DR: UPCMLD0ENAT5843112:001 (CAS 332033-63-3) is a chemical compound with molecular formula C18H19ClN4O2S and molecular weight 390.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[(Z)-3-chlorobut-2-enyl]sulfanyl-3-methyl-7-[(3-methylphenyl)methyl]purine-2,6-dione
Also Known As: UPCMLD0ENAT5843112:001, 8-[(Z)-3-chlorobut-2-enyl]sulfanyl-3-methyl-7-[(3-methylphenyl)methyl]purine-2,6-dione, (Z)-8-((3-chlorobut-2-en-1-yl)thio)-3-methyl-7-(3-methylbenzyl)-1H-purine-2,6(3H,7H)-dione, 8-{[(2Z)-3-chlorobut-2-en-1-yl]sulfanyl}-3-methyl-7-(3-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C18H19ClN4O2S |
|---|---|
| Molecular Weight | 390.09 g/mol |
| LogP | 3.01472 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 390.09174 |
| Heavy Atoms | 26 |
| Complexity | 1106.5571 |
Chemical Identifiers
| CAS Number | 332033-63-3 |
|---|---|
| SMILES | CC1=CC(=CC=C1)CN2C3=C(N=C2SC/C=C(/C)\Cl)N(C(=O)NC3=O)C |
Product Overview
UPCMLD0ENAT5843112:001 (CAS 332033-63-3), with molecular formula C18H19ClN4O2S and molecular weight 390.09 g/mol. IUPAC: 8-[(Z)-3-chlorobut-2-enyl]sulfanyl-3-methyl-7-[(3-methylphenyl)methyl]purine-2,6-dione.
Chemical Property Profile of UPCMLD0ENAT5843112:001
Property Insights of UPCMLD0ENAT5843112:001
The XLogP value of 3.01472 indicates that UPCMLD0ENAT5843112:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.68 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5843112:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5843112:001 has 1 hydrogen bond donor(s) and 4 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 UPCMLD0ENAT5843112:001?
The CAS number of UPCMLD0ENAT5843112:001 is 332033-63-3.
What is the molecular formula of UPCMLD0ENAT5843112:001?
The molecular formula of UPCMLD0ENAT5843112:001 is C18H19ClN4O2S.
What is the molecular weight of UPCMLD0ENAT5843112:001?
The molecular weight of UPCMLD0ENAT5843112:001 is 390.09 g/mol.
Where can I buy UPCMLD0ENAT5843112:001?
You can request a quote for UPCMLD0ENAT5843112:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5843112:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5843112:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.