UPCMLD0ENAT5896142:001
TL;DR: UPCMLD0ENAT5896142:001 (CAS 896852-48-5) is a chemical compound with molecular formula C20H23N5O5 and molecular weight 413.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(2,4-dimethoxyphenyl)-2-(3-hydroxypropyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione
Also Known As: UPCMLD0ENAT5896142:001, 6-(2,4-dimethoxyphenyl)-2-(3-hydroxypropyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione, 8-(2,4-dimethoxyphenyl)-3-(3-hydroxypropyl)-1,7-dimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
| Molecular Formula | C20H23N5O5 |
|---|---|
| Molecular Weight | 413.17 g/mol |
| LogP | 0.84662 |
| Topological Polar Surface Area | 104.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 413.16992 |
| Heavy Atoms | 30 |
| Complexity | 1374.7365 |
Chemical Identifiers
| CAS Number | 896852-48-5 |
|---|---|
| SMILES | CC1=CN2C3=C(N=C2N1C4=C(C=C(C=C4)OC)OC)N(C(=O)N(C3=O)CCCO)C |
Product Overview
UPCMLD0ENAT5896142:001 (CAS 896852-48-5), with molecular formula C20H23N5O5 and molecular weight 413.17 g/mol. IUPAC: 6-(2,4-dimethoxyphenyl)-2-(3-hydroxypropyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione.
Chemical Property Profile of UPCMLD0ENAT5896142:001
Property Insights of UPCMLD0ENAT5896142:001
The XLogP value of 0.84662 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5896142:001. The TPSA of 104.92 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5896142:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5896142:001 has 1 hydrogen bond donor(s) and 6 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 UPCMLD0ENAT5896142:001?
The CAS number of UPCMLD0ENAT5896142:001 is 896852-48-5.
What is the molecular formula of UPCMLD0ENAT5896142:001?
The molecular formula of UPCMLD0ENAT5896142:001 is C20H23N5O5.
What is the molecular weight of UPCMLD0ENAT5896142:001?
The molecular weight of UPCMLD0ENAT5896142:001 is 413.17 g/mol.
Where can I buy UPCMLD0ENAT5896142:001?
You can request a quote for UPCMLD0ENAT5896142:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5896142:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5896142:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.