2-(p-Butylanilino)-2'-deoxyadenosine
TL;DR: 2-(p-Butylanilino)-2'-deoxyadenosine (CAS 99304-82-2) is a chemical compound with molecular formula C20H26N6O3 and molecular weight 398.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3S,5R)-5-[6-amino-2-(4-butylanilino)purin-9-yl]-2-(hydroxymethyl)oxolan-3-ol
Also Known As: 2-(p-Butylanilino)-2'-deoxyadenosine, 2-(p-n-Butylanilino)-2'-deoxyadenosine, 2-(4-Butylanilino)-2'-deoxyadenosine, 2-[(4-Butylphenyl)amino]-2'-deoxyadenosine, 6-Amino-2-((4-butylphenyl)amino)-9-(2-dexoy-beta-D-erythro-pentafuranosyl)-9H-purine
| Molecular Formula | C20H26N6O3 |
|---|---|
| Molecular Weight | 398.21 g/mol |
| LogP | 2.1354 |
| Topological Polar Surface Area | 131.34 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 398.20663 |
| Heavy Atoms | 29 |
| Complexity | 974.257 |
Chemical Identifiers
| CAS Number | 99304-82-2 |
|---|---|
| SMILES | CCCCC1=CC=C(C=C1)NC2=NC(=C3C(=N2)N(C=N3)[C@H]4C[C@@H]([C@H](O4)CO)O)N |
Product Overview
2-(p-Butylanilino)-2'-deoxyadenosine (CAS 99304-82-2), with molecular formula C20H26N6O3 and molecular weight 398.21 g/mol. IUPAC: (2R,3S,5R)-5-[6-amino-2-(4-butylanilino)purin-9-yl]-2-(hydroxymethyl)oxolan-3-ol.
Chemical Property Profile of 2-(p-Butylanilino)-2'-deoxyadenosine
Property Insights of 2-(p-Butylanilino)-2'-deoxyadenosine
The XLogP value of 2.1354 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(p-Butylanilino)-2'-deoxyadenosine. The TPSA of 131.34 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(p-Butylanilino)-2'-deoxyadenosine. Following Lipinski's Rule of Five, 2-(p-Butylanilino)-2'-deoxyadenosine has 4 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 2-(p-Butylanilino)-2'-deoxyadenosine?
The CAS number of 2-(p-Butylanilino)-2'-deoxyadenosine is 99304-82-2.
What is the molecular formula of 2-(p-Butylanilino)-2'-deoxyadenosine?
The molecular formula of 2-(p-Butylanilino)-2'-deoxyadenosine is C20H26N6O3.
What is the molecular weight of 2-(p-Butylanilino)-2'-deoxyadenosine?
The molecular weight of 2-(p-Butylanilino)-2'-deoxyadenosine is 398.21 g/mol.
Where can I buy 2-(p-Butylanilino)-2'-deoxyadenosine?
You can request a quote for 2-(p-Butylanilino)-2'-deoxyadenosine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(p-Butylanilino)-2'-deoxyadenosine?
Yes, KEHONG BIO provides custom synthesis services for 2-(p-Butylanilino)-2'-deoxyadenosine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.