UPCMLD0ENAT5730969:001
TL;DR: UPCMLD0ENAT5730969:001 (CAS 477333-68-9) is a chemical compound with molecular formula C13H17ClN4O3S and molecular weight 344.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(3-chloro-2-hydroxypropyl)sulfanyl-3-methyl-7-(2-methylprop-2-enyl)purine-2,6-dione
Also Known As: UPCMLD0ENAT5730969:001, BAS 01108689, 8-[(3-chloro-2-hydroxypropyl)sulfanyl]-3-methyl-7-(2-methyl-2-propenyl)-3,7-dihydro-1H-purine-2,6-dione, 8-(3-chloro-2-hydroxypropyl)sulfanyl-3-methyl-7-(2-methylprop-2-enyl)purine-2,6-dione, 649-937-2
| Molecular Formula | C13H17ClN4O3S |
|---|---|
| Molecular Weight | 344.07 g/mol |
| LogP | 0.6912 |
| Topological Polar Surface Area | 92.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 344.07098 |
| Heavy Atoms | 22 |
| Complexity | 823.02515 |
Chemical Identifiers
| CAS Number | 477333-68-9 |
|---|---|
| SMILES | CC(=C)CN1C2=C(N=C1SCC(CCl)O)N(C(=O)NC2=O)C |
Product Overview
UPCMLD0ENAT5730969:001 (CAS 477333-68-9), with molecular formula C13H17ClN4O3S and molecular weight 344.07 g/mol. IUPAC: 8-(3-chloro-2-hydroxypropyl)sulfanyl-3-methyl-7-(2-methylprop-2-enyl)purine-2,6-dione.
Chemical Property Profile of UPCMLD0ENAT5730969:001
Property Insights of UPCMLD0ENAT5730969:001
The XLogP value of 0.6912 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5730969:001. The TPSA of 92.91 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5730969:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5730969:001 has 2 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 UPCMLD0ENAT5730969:001?
The CAS number of UPCMLD0ENAT5730969:001 is 477333-68-9.
What is the molecular formula of UPCMLD0ENAT5730969:001?
The molecular formula of UPCMLD0ENAT5730969:001 is C13H17ClN4O3S.
What is the molecular weight of UPCMLD0ENAT5730969:001?
The molecular weight of UPCMLD0ENAT5730969:001 is 344.07 g/mol.
Where can I buy UPCMLD0ENAT5730969:001?
You can request a quote for UPCMLD0ENAT5730969:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5730969:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5730969:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.