UPCMLD0ENAT5731407:001
TL;DR: UPCMLD0ENAT5731407:001 (CAS 838896-03-0) is a chemical compound with molecular formula C18H23N7O2S and molecular weight 401.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-7-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]-8-pyrrolidin-1-ylpurine-2,6-dione
Also Known As: UPCMLD0ENAT5731407:001, AB00668531-01, 1,3-dimethyl-7-(2-((4-methylpyrimidin-2-yl)thio)ethyl)-8-(pyrrolidin-1-yl)-1H-purine-2,6(3H,7H)-dione, F0570-0314, 1,3-dimethyl-7-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]-8-pyrrolidin-1-ylpurine-2,6-dione
| Molecular Formula | C18H23N7O2S |
|---|---|
| Molecular Weight | 401.16 g/mol |
| LogP | 0.92462 |
| Topological Polar Surface Area | 90.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 401.1634 |
| Heavy Atoms | 28 |
| Complexity | 1141.2672 |
Chemical Identifiers
| CAS Number | 838896-03-0 |
|---|---|
| SMILES | CC1=NC(=NC=C1)SCCN2C3=C(N=C2N4CCCC4)N(C(=O)N(C3=O)C)C |
Product Overview
UPCMLD0ENAT5731407:001 (CAS 838896-03-0), with molecular formula C18H23N7O2S and molecular weight 401.16 g/mol. IUPAC: 1,3-dimethyl-7-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]-8-pyrrolidin-1-ylpurine-2,6-dione.
Chemical Property Profile of UPCMLD0ENAT5731407:001
Property Insights of UPCMLD0ENAT5731407:001
The XLogP value of 0.92462 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5731407:001. The TPSA of 90.84 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5731407:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5731407:001 has 0 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 UPCMLD0ENAT5731407:001?
The CAS number of UPCMLD0ENAT5731407:001 is 838896-03-0.
What is the molecular formula of UPCMLD0ENAT5731407:001?
The molecular formula of UPCMLD0ENAT5731407:001 is C18H23N7O2S.
What is the molecular weight of UPCMLD0ENAT5731407:001?
The molecular weight of UPCMLD0ENAT5731407:001 is 401.16 g/mol.
Where can I buy UPCMLD0ENAT5731407:001?
You can request a quote for UPCMLD0ENAT5731407:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5731407:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5731407:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.