UPCMLD0ENAT5782300:001
TL;DR: UPCMLD0ENAT5782300:001 (CAS 372500-31-7) is a chemical compound with molecular formula C15H22N4O2S and molecular weight 322.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-butylsulfanyl-1,3-dimethyl-7-(2-methylprop-2-enyl)purine-2,6-dione
Also Known As: UPCMLD0ENAT5782300:001, BAS 01547090, 8-(butylsulfanyl)-1,3-dimethyl-7-(2-methylprop-2-en-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 8-butylsulfanyl-1,3-dimethyl-7-(2-methylprop-2-enyl)purine-2,6-dione, 8-(BUTYLTHIO)-1,3-DIMETHYL-7-(2-ME-2-PROPENYL)-3,7-DIHYDRO-1H-PURINE-2,6-DIONE
| Molecular Formula | C15H22N4O2S |
|---|---|
| Molecular Weight | 322.15 g/mol |
| LogP | 1.902 |
| Topological Polar Surface Area | 61.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 322.14636 |
| Heavy Atoms | 22 |
| Complexity | 828.65076 |
Chemical Identifiers
| CAS Number | 372500-31-7 |
|---|---|
| SMILES | CCCCSC1=NC2=C(N1CC(=C)C)C(=O)N(C(=O)N2C)C |
Product Overview
UPCMLD0ENAT5782300:001 (CAS 372500-31-7), with molecular formula C15H22N4O2S and molecular weight 322.15 g/mol. IUPAC: 8-butylsulfanyl-1,3-dimethyl-7-(2-methylprop-2-enyl)purine-2,6-dione.
Chemical Property Profile of UPCMLD0ENAT5782300:001
Property Insights of UPCMLD0ENAT5782300:001
The XLogP value of 1.902 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5782300:001. The TPSA of 61.82 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5782300:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5782300:001 has 0 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 UPCMLD0ENAT5782300:001?
The CAS number of UPCMLD0ENAT5782300:001 is 372500-31-7.
What is the molecular formula of UPCMLD0ENAT5782300:001?
The molecular formula of UPCMLD0ENAT5782300:001 is C15H22N4O2S.
What is the molecular weight of UPCMLD0ENAT5782300:001?
The molecular weight of UPCMLD0ENAT5782300:001 is 322.15 g/mol.
Where can I buy UPCMLD0ENAT5782300:001?
You can request a quote for UPCMLD0ENAT5782300:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5782300:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5782300:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.