UPCMLD0ENAT5795439:001
TL;DR: UPCMLD0ENAT5795439:001 (CAS 896074-62-7) is a chemical compound with molecular formula C22H25N5O4 and molecular weight 423.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[2-(3,4-dimethoxyphenyl)ethyl]-4,7-dimethyl-2-prop-2-enylpurino[7,8-a]imidazole-1,3-dione
Also Known As: UPCMLD0ENAT5795439:001, 3-allyl-8-(3,4-dimethoxyphenethyl)-1,7-dimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione, F3235-1374, 6-[2-(3,4-dimethoxyphenyl)ethyl]-4,7-dimethyl-2-prop-2-enylpurino[7,8-a]imidazole-1,3-dione, 8-[2-(3,4-dimethoxyphenyl)ethyl]-1,7-dimethyl-3-(prop-2-en-1-yl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
| Molecular Formula | C22H25N5O4 |
|---|---|
| Molecular Weight | 423.19 g/mol |
| LogP | 1.90372 |
| Topological Polar Surface Area | 84.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 423.19064 |
| Heavy Atoms | 31 |
| Complexity | 1420.1956 |
Chemical Identifiers
| CAS Number | 896074-62-7 |
|---|---|
| SMILES | CC1=CN2C3=C(N=C2N1CCC4=CC(=C(C=C4)OC)OC)N(C(=O)N(C3=O)CC=C)C |
Product Overview
UPCMLD0ENAT5795439:001 (CAS 896074-62-7), with molecular formula C22H25N5O4 and molecular weight 423.19 g/mol. IUPAC: 6-[2-(3,4-dimethoxyphenyl)ethyl]-4,7-dimethyl-2-prop-2-enylpurino[7,8-a]imidazole-1,3-dione.
Chemical Property Profile of UPCMLD0ENAT5795439:001
Property Insights of UPCMLD0ENAT5795439:001
The XLogP value of 1.90372 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5795439:001. The TPSA of 84.69 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5795439:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5795439:001 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 UPCMLD0ENAT5795439:001?
The CAS number of UPCMLD0ENAT5795439:001 is 896074-62-7.
What is the molecular formula of UPCMLD0ENAT5795439:001?
The molecular formula of UPCMLD0ENAT5795439:001 is C22H25N5O4.
What is the molecular weight of UPCMLD0ENAT5795439:001?
The molecular weight of UPCMLD0ENAT5795439:001 is 423.19 g/mol.
Where can I buy UPCMLD0ENAT5795439:001?
You can request a quote for UPCMLD0ENAT5795439:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5795439:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5795439:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.