UPCMLD0ENAT5829930:001
TL;DR: UPCMLD0ENAT5829930:001 (CAS 501352-28-9) is a chemical compound with molecular formula C19H21N9O2S and molecular weight 439.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-7-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]-8-pyrrolidin-1-ylpurine-2,6-dione
Also Known As: UPCMLD0ENAT5829930:001, 3-methyl-7-(2-((1-phenyl-1H-tetrazol-5-yl)thio)ethyl)-8-(pyrrolidin-1-yl)-1H-purine-2,6(3H,7H)-dione, AB00684474-01, F0570-0025, 3-methyl-7-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]-8-pyrrolidin-1-ylpurine-2,6-dione
| Molecular Formula | C19H21N9O2S |
|---|---|
| Molecular Weight | 439.15 g/mol |
| LogP | 0.7915 |
| Topological Polar Surface Area | 119.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 439.1539 |
| Heavy Atoms | 31 |
| Complexity | 1332.1647 |
Chemical Identifiers
| CAS Number | 501352-28-9 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCC3)CCSC4=NN=NN4C5=CC=CC=C5 |
Product Overview
UPCMLD0ENAT5829930:001 (CAS 501352-28-9), with molecular formula C19H21N9O2S and molecular weight 439.15 g/mol. IUPAC: 3-methyl-7-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]-8-pyrrolidin-1-ylpurine-2,6-dione.
Chemical Property Profile of UPCMLD0ENAT5829930:001
Property Insights of UPCMLD0ENAT5829930:001
The XLogP value of 0.7915 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5829930:001. The TPSA of 119.52 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5829930:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5829930:001 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 UPCMLD0ENAT5829930:001?
The CAS number of UPCMLD0ENAT5829930:001 is 501352-28-9.
What is the molecular formula of UPCMLD0ENAT5829930:001?
The molecular formula of UPCMLD0ENAT5829930:001 is C19H21N9O2S.
What is the molecular weight of UPCMLD0ENAT5829930:001?
The molecular weight of UPCMLD0ENAT5829930:001 is 439.15 g/mol.
Where can I buy UPCMLD0ENAT5829930:001?
You can request a quote for UPCMLD0ENAT5829930:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5829930:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5829930:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.