UPCMLD0ENAT5833047:001
TL;DR: UPCMLD0ENAT5833047:001 (CAS 672920-49-9) is a chemical compound with molecular formula C22H26N6O3S and molecular weight 454.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(azepan-1-yl)-7-[3-(1,3-benzoxazol-2-ylsulfanyl)propyl]-3-methylpurine-2,6-dione
Also Known As: UPCMLD0ENAT5833047:001, 8-(azepan-1-yl)-7-[3-(1,3-benzoxazol-2-ylsulfanyl)propyl]-3-methylpurine-2,6-dione, 8-(azepan-1-yl)-7-(3-(benzo[d]oxazol-2-ylthio)propyl)-3-methyl-1H-purine-2,6(3H,7H)-dione, 8-(azepan-1-yl)-7-[3-(1,3-benzoxazol-2-ylsulfanyl)propyl]-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one, 8-azaperhydroepinyl-7-(3-benzoxazol-2-ylthiopropyl)-3-methyl-1,3,7-trihydropur ine-2,6-dione
| Molecular Formula | C22H26N6O3S |
|---|---|
| Molecular Weight | 454.18 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 122.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 454.1787 |
| Heavy Atoms | 32 |
| Complexity | 691.0 |
Chemical Identifiers
| CAS Number | 672920-49-9 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCCC3)CCCSC4=NC5=CC=CC=C5O4 |
| InChIKey | HSUGOXXRYWVXCN-UHFFFAOYSA-N |
Product Overview
UPCMLD0ENAT5833047:001 (CAS 672920-49-9), with molecular formula C22H26N6O3S and molecular weight 454.18 g/mol. IUPAC: 8-(azepan-1-yl)-7-[3-(1,3-benzoxazol-2-ylsulfanyl)propyl]-3-methylpurine-2,6-dione.
Chemical Property Profile of UPCMLD0ENAT5833047:001
Property Insights of UPCMLD0ENAT5833047:001
The XLogP value of 3.7 indicates that UPCMLD0ENAT5833047:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5833047:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5833047:001 has 1 hydrogen bond donor(s) and 7 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 UPCMLD0ENAT5833047:001?
The CAS number of UPCMLD0ENAT5833047:001 is 672920-49-9.
What is the molecular formula of UPCMLD0ENAT5833047:001?
The molecular formula of UPCMLD0ENAT5833047:001 is C22H26N6O3S.
What is the molecular weight of UPCMLD0ENAT5833047:001?
The molecular weight of UPCMLD0ENAT5833047:001 is 454.18 g/mol.
Where can I buy UPCMLD0ENAT5833047:001?
You can request a quote for UPCMLD0ENAT5833047:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5833047:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5833047:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.