UPCMLD0ENAT5837549:001
TL;DR: UPCMLD0ENAT5837549:001 (CAS 442864-79-1) is a chemical compound with molecular formula C16H23N5O3S and molecular weight 365.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-7-(2-methylprop-2-enyl)-8-(2-morpholin-4-ylethylsulfanyl)purine-2,6-dione
Also Known As: UPCMLD0ENAT5837549:001, BAS 04914697, 3-methyl-7-(2-methylallyl)-8-((2-morpholinoethyl)thio)-1H-purine-2,6(3H,7H)-dione, AB00470311-03, AB00470311-10
| Molecular Formula | C16H23N5O3S |
|---|---|
| Molecular Weight | 365.15 g/mol |
| LogP | 0.4237 |
| Topological Polar Surface Area | 85.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 365.15216 |
| Heavy Atoms | 25 |
| Complexity | 891.53284 |
Chemical Identifiers
| CAS Number | 442864-79-1 |
|---|---|
| SMILES | CC(=C)CN1C2=C(N=C1SCCN3CCOCC3)N(C(=O)NC2=O)C |
Product Overview
UPCMLD0ENAT5837549:001 (CAS 442864-79-1), with molecular formula C16H23N5O3S and molecular weight 365.15 g/mol. IUPAC: 3-methyl-7-(2-methylprop-2-enyl)-8-(2-morpholin-4-ylethylsulfanyl)purine-2,6-dione.
Chemical Property Profile of UPCMLD0ENAT5837549:001
Property Insights of UPCMLD0ENAT5837549:001
The XLogP value of 0.4237 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5837549:001. The TPSA of 85.15 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5837549:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5837549:001 has 1 hydrogen bond donor(s) and 6 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 UPCMLD0ENAT5837549:001?
The CAS number of UPCMLD0ENAT5837549:001 is 442864-79-1.
What is the molecular formula of UPCMLD0ENAT5837549:001?
The molecular formula of UPCMLD0ENAT5837549:001 is C16H23N5O3S.
What is the molecular weight of UPCMLD0ENAT5837549:001?
The molecular weight of UPCMLD0ENAT5837549:001 is 365.15 g/mol.
Where can I buy UPCMLD0ENAT5837549:001?
You can request a quote for UPCMLD0ENAT5837549:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5837549:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5837549:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.