Isopropylidene-adenosine-5-N-methylcarbamide
TL;DR: Isopropylidene-adenosine-5-N-methylcarbamide (CAS 39744-92-8) is a chemical compound with molecular formula C14H18N6O4 and molecular weight 334.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(6-aminopurin-9-yl)-N,2,2-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxamide
Also Known As: Isopropylidene-adenosine-5-N-methylcarbamide, 2',3'-O-Isopropylidene-adenosine-5-N-methylcarbamide, 6-(6-amino-9h-purin-9-yl)-n,2,2-trimethyltetrahydrofuro[3,4-d][1,3]dioxole-4-carboxamide(non-preferred name), (3aR,4S,6aS)-6-(6-Amino-purin-9-yl)-2,2-dimethyl-tetrahydro-furo[3,4-d][1,3]dioxole-4-carboxylic acid methylamide, 6-(6-amino-9h-purin-9-yl)-n,2,2-trimethyltetrahydrofuro[3,4-d][1,3]dioxole-4-carboxamide
| Molecular Formula | C14H18N6O4 |
|---|---|
| Molecular Weight | 334.14 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 126.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 334.13895 |
| Heavy Atoms | 24 |
| Complexity | 519.0 |
Chemical Identifiers
| CAS Number | 39744-92-8 |
|---|---|
| SMILES | CC1(OC2C(O1)C(OC2C(=O)NC)N3C=NC4=C(N=CN=C43)N)C |
| InChIKey | DKBBHJATSCFNJQ-UHFFFAOYSA-N |
Product Overview
Isopropylidene-adenosine-5-N-methylcarbamide (CAS 39744-92-8), with molecular formula C14H18N6O4 and molecular weight 334.14 g/mol. IUPAC: 4-(6-aminopurin-9-yl)-N,2,2-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxamide.
Chemical Property Profile of Isopropylidene-adenosine-5-N-methylcarbamide
Property Insights of Isopropylidene-adenosine-5-N-methylcarbamide
The XLogP value of -0.9 indicates that Isopropylidene-adenosine-5-N-methylcarbamide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Isopropylidene-adenosine-5-N-methylcarbamide. Following Lipinski's Rule of Five, Isopropylidene-adenosine-5-N-methylcarbamide has 2 hydrogen bond donor(s) and 8 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 Isopropylidene-adenosine-5-N-methylcarbamide?
The CAS number of Isopropylidene-adenosine-5-N-methylcarbamide is 39744-92-8.
What is the molecular formula of Isopropylidene-adenosine-5-N-methylcarbamide?
The molecular formula of Isopropylidene-adenosine-5-N-methylcarbamide is C14H18N6O4.
What is the molecular weight of Isopropylidene-adenosine-5-N-methylcarbamide?
The molecular weight of Isopropylidene-adenosine-5-N-methylcarbamide is 334.14 g/mol.
Where can I buy Isopropylidene-adenosine-5-N-methylcarbamide?
You can request a quote for Isopropylidene-adenosine-5-N-methylcarbamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopropylidene-adenosine-5-N-methylcarbamide?
Yes, KEHONG BIO provides custom synthesis services for Isopropylidene-adenosine-5-N-methylcarbamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.