4-n-butylanilino dATP
TL;DR: 4-n-butylanilino dATP (CAS 6319-04-6) is a chemical compound with molecular formula C20H29N6O12P3 and molecular weight 638.11 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]-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Also Known As: Buadatp, p-n-Butylanilino datp, 4-n-Butylanilino datp, (2-para-n-butylanilino)deoxy ATP, 2-[(4-butylphenyl)amino]-2'-deoxyadenosine 5'-(tetrahydrogen triphosphate)
| Molecular Formula | C20H29N6O12P3 |
|---|---|
| Molecular Weight | 638.11 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 271.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 13 |
| Exact Mass | 638.10565 |
| Heavy Atoms | 41 |
| Complexity | 1020.0 |
Chemical Identifiers
| CAS Number | 6319-04-6 |
|---|---|
| SMILES | CCCCC1=CC=C(C=C1)NC2=NC(=C3C(=N2)N(C=N3)[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)N |
| InChIKey | FIXMJCWSNNGOFC-ARFHVFGLSA-N |
Product Overview
4-n-butylanilino dATP (CAS 6319-04-6), with molecular formula C20H29N6O12P3 and molecular weight 638.11 g/mol. IUPAC: [[(2R,3S,5R)-5-[6-amino-2-(4-butylanilino)purin-9-yl]-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate.
Chemical Property Profile of 4-n-butylanilino dATP
Property Insights of 4-n-butylanilino dATP
The XLogP value of -0.3 indicates that 4-n-butylanilino dATP is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 271.0 Ų indicates high polarity, suggesting 4-n-butylanilino dATP may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-n-butylanilino dATP has 7 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-n-butylanilino dATP?
The CAS number of 4-n-butylanilino dATP is 6319-04-6.
What is the molecular formula of 4-n-butylanilino dATP?
The molecular formula of 4-n-butylanilino dATP is C20H29N6O12P3.
What is the molecular weight of 4-n-butylanilino dATP?
The molecular weight of 4-n-butylanilino dATP is 638.11 g/mol.
Where can I buy 4-n-butylanilino dATP?
You can request a quote for 4-n-butylanilino dATP directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-n-butylanilino dATP?
Yes, KEHONG BIO provides custom synthesis services for 4-n-butylanilino dATP and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.