UPCMLD0ENAT5774729:001
TL;DR: UPCMLD0ENAT5774729:001 (CAS 838890-53-2) is a chemical compound with molecular formula C23H31N5O3 and molecular weight 425.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[(4-benzylpiperidin-1-yl)methyl]-7-(2-methoxyethyl)-1,3-dimethylpurine-2,6-dione
Also Known As: UPCMLD0ENAT5774729:001, 8-[(4-benzylpiperidin-1-yl)methyl]-7-(2-methoxyethyl)-1,3-dimethylpurine-2,6-dione, 8-[(4-benzylpiperidino)methyl]-7-(2-methoxyethyl)-1,3-dimethyl-xanthine, 7-(2-methoxyethyl)-1,3-dimethyl-8-[[4-(phenylmethyl)-1-piperidinyl]methyl]purine-2,6-dione, 7-(2-methoxyethyl)-1,3-dimethyl-8-[[4-(phenylmethyl)piperidin-1-yl]methyl]purine-2,6-dione
| Molecular Formula | C23H31N5O3 |
|---|---|
| Molecular Weight | 425.24 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 70.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 425.24268 |
| Heavy Atoms | 31 |
| Complexity | 633.0 |
Chemical Identifiers
| CAS Number | 838890-53-2 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN3CCC(CC3)CC4=CC=CC=C4)CCOC |
| InChIKey | GSEWPGJRDKBOOP-UHFFFAOYSA-N |
Product Overview
UPCMLD0ENAT5774729:001 (CAS 838890-53-2), with molecular formula C23H31N5O3 and molecular weight 425.24 g/mol. IUPAC: 8-[(4-benzylpiperidin-1-yl)methyl]-7-(2-methoxyethyl)-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of UPCMLD0ENAT5774729:001
Property Insights of UPCMLD0ENAT5774729:001
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5774729:001. The TPSA of 70.9 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5774729:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5774729:001 has 0 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 UPCMLD0ENAT5774729:001?
The CAS number of UPCMLD0ENAT5774729:001 is 838890-53-2.
What is the molecular formula of UPCMLD0ENAT5774729:001?
The molecular formula of UPCMLD0ENAT5774729:001 is C23H31N5O3.
What is the molecular weight of UPCMLD0ENAT5774729:001?
The molecular weight of UPCMLD0ENAT5774729:001 is 425.24 g/mol.
Where can I buy UPCMLD0ENAT5774729:001?
You can request a quote for UPCMLD0ENAT5774729:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5774729:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5774729:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.