UPCMLD0ENAT5876101:001
TL;DR: UPCMLD0ENAT5876101:001 (CAS 442865-20-5) is a chemical compound with molecular formula C16H23N5O2S and molecular weight 349.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-8-(2-piperidin-1-ylethylsulfanyl)-7-prop-2-enylpurine-2,6-dione
Also Known As: UPCMLD0ENAT5876101:001, BAS 04914766, 7-allyl-3-methyl-8-((2-(piperidin-1-yl)ethyl)thio)-1H-purine-2,6(3H,7H)-dione, 7-allyl-3-methyl-8-{[2-(1-piperidinyl)ethyl]thio}-3,7-dihydro-1H-purine-2,6-dione, 3-methyl-8-(2-piperidin-1-ylethylsulfanyl)-7-prop-2-enylpurine-2,6-dione
| Molecular Formula | C16H23N5O2S |
|---|---|
| Molecular Weight | 349.16 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 95.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 349.15726 |
| Heavy Atoms | 24 |
| Complexity | 497.0 |
Chemical Identifiers
| CAS Number | 442865-20-5 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)SCCN3CCCCC3)CC=C |
| InChIKey | REAGPUZKAWDPPL-UHFFFAOYSA-N |
Product Overview
UPCMLD0ENAT5876101:001 (CAS 442865-20-5), with molecular formula C16H23N5O2S and molecular weight 349.16 g/mol. IUPAC: 3-methyl-8-(2-piperidin-1-ylethylsulfanyl)-7-prop-2-enylpurine-2,6-dione.
Chemical Property Profile of UPCMLD0ENAT5876101:001
Property Insights of UPCMLD0ENAT5876101:001
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5876101:001. The TPSA of 95.8 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5876101:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5876101:001 has 1 hydrogen bond donor(s) and 5 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 UPCMLD0ENAT5876101:001?
The CAS number of UPCMLD0ENAT5876101:001 is 442865-20-5.
What is the molecular formula of UPCMLD0ENAT5876101:001?
The molecular formula of UPCMLD0ENAT5876101:001 is C16H23N5O2S.
What is the molecular weight of UPCMLD0ENAT5876101:001?
The molecular weight of UPCMLD0ENAT5876101:001 is 349.16 g/mol.
Where can I buy UPCMLD0ENAT5876101:001?
You can request a quote for UPCMLD0ENAT5876101:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5876101:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5876101:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.