UPCMLD0ENAT5840003:001
TL;DR: UPCMLD0ENAT5840003:001 (CAS 501352-27-8) is a chemical compound with molecular formula C19H20N6O2S2 and molecular weight 428.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-3-methyl-8-pyrrolidin-1-ylpurine-2,6-dione
Also Known As: UPCMLD0ENAT5840003:001, 7-(2-(benzo[d]thiazol-2-ylthio)ethyl)-3-methyl-8-(pyrrolidin-1-yl)-1H-purine-2,6(3H,7H)-dione, AB00668486-01, F0570-0022, 7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-3-methyl-8-pyrrolidin-1-ylpurine-2,6-dione
| Molecular Formula | C19H20N6O2S2 |
|---|---|
| Molecular Weight | 428.11 g/mol |
| LogP | 2.4255 |
| Topological Polar Surface Area | 88.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 428.10892 |
| Heavy Atoms | 29 |
| Complexity | 1278.9689 |
Chemical Identifiers
| CAS Number | 501352-27-8 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCC3)CCSC4=NC5=CC=CC=C5S4 |
Product Overview
UPCMLD0ENAT5840003:001 (CAS 501352-27-8), with molecular formula C19H20N6O2S2 and molecular weight 428.11 g/mol. IUPAC: 7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-3-methyl-8-pyrrolidin-1-ylpurine-2,6-dione.
Chemical Property Profile of UPCMLD0ENAT5840003:001
Property Insights of UPCMLD0ENAT5840003:001
The XLogP value of 2.4255 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5840003:001. The TPSA of 88.81 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5840003:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5840003:001 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 UPCMLD0ENAT5840003:001?
The CAS number of UPCMLD0ENAT5840003:001 is 501352-27-8.
What is the molecular formula of UPCMLD0ENAT5840003:001?
The molecular formula of UPCMLD0ENAT5840003:001 is C19H20N6O2S2.
What is the molecular weight of UPCMLD0ENAT5840003:001?
The molecular weight of UPCMLD0ENAT5840003:001 is 428.11 g/mol.
Where can I buy UPCMLD0ENAT5840003:001?
You can request a quote for UPCMLD0ENAT5840003:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5840003:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5840003:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.