UPCMLD0ENAT5783557:001
TL;DR: UPCMLD0ENAT5783557:001 (CAS 851942-00-2) is a chemical compound with molecular formula C20H33N5O2 and molecular weight 375.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-hexyl-1,3-dimethyl-8-[(3-methylpiperidin-1-yl)methyl]purine-2,6-dione
Also Known As: UPCMLD0ENAT5783557:001, 7-hexyl-1,3-dimethyl-8-[(3-methylpiperidin-1-yl)methyl]purine-2,6-dione, 7-hexyl-1,3-dimethyl-8-[(3-methylpiperidin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione, 7-hexyl-1,3-dimethyl-8-[(3-methylpiperidino)methyl]xanthine, 7-hexyl-1,3-dimethyl-8-[(3-methyl-1-piperidinyl)methyl]purine-2,6-dione
| Molecular Formula | C20H33N5O2 |
|---|---|
| Molecular Weight | 375.26 g/mol |
| LogP | 2.2459 |
| Topological Polar Surface Area | 65.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 375.26343 |
| Heavy Atoms | 27 |
| Complexity | 907.70355 |
Chemical Identifiers
| CAS Number | 851942-00-2 |
|---|---|
| SMILES | CCCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCCC(C3)C |
Product Overview
UPCMLD0ENAT5783557:001 (CAS 851942-00-2), with molecular formula C20H33N5O2 and molecular weight 375.26 g/mol. IUPAC: 7-hexyl-1,3-dimethyl-8-[(3-methylpiperidin-1-yl)methyl]purine-2,6-dione.
Chemical Property Profile of UPCMLD0ENAT5783557:001
Property Insights of UPCMLD0ENAT5783557:001
The XLogP value of 2.2459 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5783557:001. The TPSA of 65.06 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5783557:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5783557:001 has 0 hydrogen bond donor(s) and 4 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 UPCMLD0ENAT5783557:001?
The CAS number of UPCMLD0ENAT5783557:001 is 851942-00-2.
What is the molecular formula of UPCMLD0ENAT5783557:001?
The molecular formula of UPCMLD0ENAT5783557:001 is C20H33N5O2.
What is the molecular weight of UPCMLD0ENAT5783557:001?
The molecular weight of UPCMLD0ENAT5783557:001 is 375.26 g/mol.
Where can I buy UPCMLD0ENAT5783557:001?
You can request a quote for UPCMLD0ENAT5783557:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5783557:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5783557:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.