2-(p-n-Butylanilino)-9-(2-deoxy-beta-D-ribofuranosyl)purine hydrate
TL;DR: 2-(p-n-Butylanilino)-9-(2-deoxy-beta-D-ribofuranosyl)purine hydrate (CAS 104715-74-4) is a chemical compound with molecular formula C20H27N5O4 and molecular weight 401.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3S,5S)-5-[2-(4-butylanilino)purin-9-yl]-2-(hydroxymethyl)oxolan-3-ol;hydrate
Also Known As: 2-(p-n-Butylanilino)-9-(2-deoxy-beta-D-ribofuranosyl)purine hydrate, 9H-Purine, 2-((4-butylphenyl)amino)-9-(2-deoxy-beta-D-erythro-pentofuranosyl)-, hydrate, 2-((4-Butylphenyl)amino)-9-(2-deoxy-beta-D-erythro-pentofuranosyl)-9H-purine hydrate, (2R,3S,5S)-5-[2-(4-butylanilino)purin-9-yl]-2-(hydroxymethyl)oxolan-3-ol hydrate, N-(4-Butylphenyl)-9-(2-deoxy-alpha-D-erythro-pentofuranosyl)-9H-purin-2-amine--water (1/1)
| Molecular Formula | C20H27N5O4 |
|---|---|
| Molecular Weight | 401.21 g/mol |
| LogP | 1.7285 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 401.2063 |
| Heavy Atoms | 29 |
| Complexity | 490.0 |
Chemical Identifiers
| CAS Number | 104715-74-4 |
|---|---|
| SMILES | CCCCC1=CC=C(C=C1)NC2=NC=C3C(=N2)N(C=N3)[C@@H]4C[C@@H]([C@H](O4)CO)O.O |
| InChIKey | IWCUOXHWGGVFSB-RXQQAGQTSA-N |
Product Overview
2-(p-n-Butylanilino)-9-(2-deoxy-beta-D-ribofuranosyl)purine hydrate (CAS 104715-74-4), with molecular formula C20H27N5O4 and molecular weight 401.21 g/mol. IUPAC: (2R,3S,5S)-5-[2-(4-butylanilino)purin-9-yl]-2-(hydroxymethyl)oxolan-3-ol;hydrate.
Chemical Property Profile of 2-(p-n-Butylanilino)-9-(2-deoxy-beta-D-ribofuranosyl)purine hydrate
Property Insights of 2-(p-n-Butylanilino)-9-(2-deoxy-beta-D-ribofuranosyl)purine hydrate
The XLogP value of 1.7285 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(p-n-Butylanilino)-9-(2-deoxy-beta-D-ribofuranosyl)purine hydrate. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(p-n-Butylanilino)-9-(2-deoxy-beta-D-ribofuranosyl)purine hydrate. Following Lipinski's Rule of Five, 2-(p-n-Butylanilino)-9-(2-deoxy-beta-D-ribofuranosyl)purine hydrate 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-n-Butylanilino)-9-(2-deoxy-beta-D-ribofuranosyl)purine hydrate?
The CAS number of 2-(p-n-Butylanilino)-9-(2-deoxy-beta-D-ribofuranosyl)purine hydrate is 104715-74-4.
What is the molecular formula of 2-(p-n-Butylanilino)-9-(2-deoxy-beta-D-ribofuranosyl)purine hydrate?
The molecular formula of 2-(p-n-Butylanilino)-9-(2-deoxy-beta-D-ribofuranosyl)purine hydrate is C20H27N5O4.
What is the molecular weight of 2-(p-n-Butylanilino)-9-(2-deoxy-beta-D-ribofuranosyl)purine hydrate?
The molecular weight of 2-(p-n-Butylanilino)-9-(2-deoxy-beta-D-ribofuranosyl)purine hydrate is 401.21 g/mol.
Where can I buy 2-(p-n-Butylanilino)-9-(2-deoxy-beta-D-ribofuranosyl)purine hydrate?
You can request a quote for 2-(p-n-Butylanilino)-9-(2-deoxy-beta-D-ribofuranosyl)purine hydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(p-n-Butylanilino)-9-(2-deoxy-beta-D-ribofuranosyl)purine hydrate?
Yes, KEHONG BIO provides custom synthesis services for 2-(p-n-Butylanilino)-9-(2-deoxy-beta-D-ribofuranosyl)purine hydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.