UPCMLD0ENAT5733392:001
TL;DR: UPCMLD0ENAT5733392:001 (CAS 796881-03-3) is a chemical compound with molecular formula C19H21N7O3S and molecular weight 427.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]-3-methyl-8-morpholin-4-ylpurine-2,6-dione
Also Known As: UPCMLD0ENAT5733392:001, AB00456539-08, 7-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]-3-methyl-8-morpholin-4-ylpurine-2,6-dione, 7-[2-(1H-BENZIMIDAZOL-2-YLSULFANYL)ETHYL]-3-METHYL-8-(4-MORPHOLINYL)-3,7-DIHYDRO-1H-PURINE-2,6-DIONE, 7-(2-((1H-benzo[d]imidazol-2-yl)thio)ethyl)-3-methyl-8-morpholino-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C19H21N7O3S |
|---|---|
| Molecular Weight | 427.14 g/mol |
| LogP | 0.9285 |
| Topological Polar Surface Area | 113.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 427.14267 |
| Heavy Atoms | 30 |
| Complexity | 1296.6418 |
Chemical Identifiers
| CAS Number | 796881-03-3 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCOCC3)CCSC4=NC5=CC=CC=C5N4 |
Product Overview
UPCMLD0ENAT5733392:001 (CAS 796881-03-3), with molecular formula C19H21N7O3S and molecular weight 427.14 g/mol. IUPAC: 7-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]-3-methyl-8-morpholin-4-ylpurine-2,6-dione.
Chemical Property Profile of UPCMLD0ENAT5733392:001
Property Insights of UPCMLD0ENAT5733392:001
The XLogP value of 0.9285 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5733392:001. The TPSA of 113.83 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5733392:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5733392:001 has 2 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 UPCMLD0ENAT5733392:001?
The CAS number of UPCMLD0ENAT5733392:001 is 796881-03-3.
What is the molecular formula of UPCMLD0ENAT5733392:001?
The molecular formula of UPCMLD0ENAT5733392:001 is C19H21N7O3S.
What is the molecular weight of UPCMLD0ENAT5733392:001?
The molecular weight of UPCMLD0ENAT5733392:001 is 427.14 g/mol.
Where can I buy UPCMLD0ENAT5733392:001?
You can request a quote for UPCMLD0ENAT5733392:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5733392:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5733392:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.