UPCMLD0ENAT5825051:001
TL;DR: UPCMLD0ENAT5825051:001 (CAS 872627-75-3) is a chemical compound with molecular formula C22H26N6O3S2 and molecular weight 486.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[3-(1,3-benzothiazol-2-ylsulfanyl)propyl]-8-(2,6-dimethylmorpholin-4-yl)-3-methylpurine-2,6-dione
Also Known As: UPCMLD0ENAT5825051:001, F1889-0378, 7-(3-(benzo[d]thiazol-2-ylthio)propyl)-8-(2,6-dimethylmorpholino)-3-methyl-1H-purine-2,6(3H,7H)-dione, 7-[3-(1,3-benzothiazol-2-ylsulfanyl)propyl]-8-(2,6-dimethylmorpholin-4-yl)-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 7-[3-(1,3-benzothiazol-2-ylsulfanyl)propyl]-8-(2,6-dimethylmorpholin-4-yl)-3-methylpurine-2,6-dione
| Molecular Formula | C22H26N6O3S2 |
|---|---|
| Molecular Weight | 486.15 g/mol |
| LogP | 2.829 |
| Topological Polar Surface Area | 98.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 486.1508 |
| Heavy Atoms | 33 |
| Complexity | 1378.2816 |
Chemical Identifiers
| CAS Number | 872627-75-3 |
|---|---|
| SMILES | CC1CN(CC(O1)C)C2=NC3=C(N2CCCSC4=NC5=CC=CC=C5S4)C(=O)NC(=O)N3C |
Product Overview
UPCMLD0ENAT5825051:001 (CAS 872627-75-3), with molecular formula C22H26N6O3S2 and molecular weight 486.15 g/mol. IUPAC: 7-[3-(1,3-benzothiazol-2-ylsulfanyl)propyl]-8-(2,6-dimethylmorpholin-4-yl)-3-methylpurine-2,6-dione.
Chemical Property Profile of UPCMLD0ENAT5825051:001
Property Insights of UPCMLD0ENAT5825051:001
The XLogP value of 2.829 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5825051:001. The TPSA of 98.04 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5825051:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5825051:001 has 1 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 UPCMLD0ENAT5825051:001?
The CAS number of UPCMLD0ENAT5825051:001 is 872627-75-3.
What is the molecular formula of UPCMLD0ENAT5825051:001?
The molecular formula of UPCMLD0ENAT5825051:001 is C22H26N6O3S2.
What is the molecular weight of UPCMLD0ENAT5825051:001?
The molecular weight of UPCMLD0ENAT5825051:001 is 486.15 g/mol.
Where can I buy UPCMLD0ENAT5825051:001?
You can request a quote for UPCMLD0ENAT5825051:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5825051:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5825051:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.