UPCMLD0ENAT5805143:001
TL;DR: UPCMLD0ENAT5805143:001 (CAS 872623-41-1) is a chemical compound with molecular formula C20H27N7O3S and molecular weight 445.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(2,6-dimethylmorpholin-4-yl)-1,3-dimethyl-7-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]purine-2,6-dione
Also Known As: UPCMLD0ENAT5805143:001, AB00600918-06, 8-(2,6-dimethylmorpholin-4-yl)-1,3-dimethyl-7-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]purine-2,6-dione, F1889-0039, 8-(2,6-dimethylmorpholino)-1,3-dimethyl-7-(2-((4-methylpyrimidin-2-yl)thio)ethyl)-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C20H27N7O3S |
|---|---|
| Molecular Weight | 445.19 g/mol |
| LogP | 0.93802 |
| Topological Polar Surface Area | 100.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 445.1896 |
| Heavy Atoms | 31 |
| Complexity | 1221.9622 |
Chemical Identifiers
| CAS Number | 872623-41-1 |
|---|---|
| SMILES | CC1CN(CC(O1)C)C2=NC3=C(N2CCSC4=NC=CC(=N4)C)C(=O)N(C(=O)N3C)C |
Product Overview
UPCMLD0ENAT5805143:001 (CAS 872623-41-1), with molecular formula C20H27N7O3S and molecular weight 445.19 g/mol. IUPAC: 8-(2,6-dimethylmorpholin-4-yl)-1,3-dimethyl-7-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]purine-2,6-dione.
Chemical Property Profile of UPCMLD0ENAT5805143:001
Property Insights of UPCMLD0ENAT5805143:001
The XLogP value of 0.93802 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5805143:001. The TPSA of 100.07 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5805143:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5805143:001 has 0 hydrogen bond donor(s) and 8 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 UPCMLD0ENAT5805143:001?
The CAS number of UPCMLD0ENAT5805143:001 is 872623-41-1.
What is the molecular formula of UPCMLD0ENAT5805143:001?
The molecular formula of UPCMLD0ENAT5805143:001 is C20H27N7O3S.
What is the molecular weight of UPCMLD0ENAT5805143:001?
The molecular weight of UPCMLD0ENAT5805143:001 is 445.19 g/mol.
Where can I buy UPCMLD0ENAT5805143:001?
You can request a quote for UPCMLD0ENAT5805143:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5805143:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5805143:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.