UPCMLD0ENAT5731355:001
TL;DR: UPCMLD0ENAT5731355:001 (CAS 685860-77-9) is a chemical compound with molecular formula C22H27N9O2S and molecular weight 481.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(azepan-1-yl)-1,3-dimethyl-7-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]purine-2,6-dione
Also Known As: UPCMLD0ENAT5731355:001, 8-(azepan-1-yl)-1,3-dimethyl-7-(2-((1-phenyl-1H-tetrazol-5-yl)thio)ethyl)-1H-purine-2,6(3H,7H)-dione, AB00668552-01, 8-(azepan-1-yl)-1,3-dimethyl-7-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]purine-2,6-dione, F0570-0368
| Molecular Formula | C22H27N9O2S |
|---|---|
| Molecular Weight | 481.20 g/mol |
| LogP | 1.5821 |
| Topological Polar Surface Area | 108.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 481.20084 |
| Heavy Atoms | 34 |
| Complexity | 1412.1624 |
Chemical Identifiers
| CAS Number | 685860-77-9 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCCCC3)CCSC4=NN=NN4C5=CC=CC=C5 |
Product Overview
UPCMLD0ENAT5731355:001 (CAS 685860-77-9), with molecular formula C22H27N9O2S and molecular weight 481.20 g/mol. IUPAC: 8-(azepan-1-yl)-1,3-dimethyl-7-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]purine-2,6-dione.
Chemical Property Profile of UPCMLD0ENAT5731355:001
Property Insights of UPCMLD0ENAT5731355:001
The XLogP value of 1.5821 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5731355:001. The TPSA of 108.66 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5731355:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5731355:001 has 0 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 UPCMLD0ENAT5731355:001?
The CAS number of UPCMLD0ENAT5731355:001 is 685860-77-9.
What is the molecular formula of UPCMLD0ENAT5731355:001?
The molecular formula of UPCMLD0ENAT5731355:001 is C22H27N9O2S.
What is the molecular weight of UPCMLD0ENAT5731355:001?
The molecular weight of UPCMLD0ENAT5731355:001 is 481.20 g/mol.
Where can I buy UPCMLD0ENAT5731355:001?
You can request a quote for UPCMLD0ENAT5731355:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5731355:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5731355:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.