4-(N-2-chloroethyl-N-methylamino)benzyl-gamma-amide dATP
TL;DR: 4-(N-2-chloroethyl-N-methylamino)benzyl-gamma-amide dATP (CAS 75795-00-5) is a chemical compound with molecular formula C20H29ClN7O11P3 and molecular weight 671.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-phosphonooxyphosphoryl]oxy-N-[[4-[2-chloroethyl(methyl)amino]phenyl]methyl]phosphonamidic acid
Also Known As: Cemabga-datp, 4-(N-2-Chloroethyl-N-methylamino)benzyl-gamma-amide datp, Datp gamma-4-(N-2-chloroethyl-N-methylamino)benzylamidate, [[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-phosphonooxyphosphoryl]oxy-N-[[4-[2-chloroethyl(methyl)amino]phenyl]methyl]phosphonamidic acid, Adenosine 5'-(trihydrogen diphosphate), 2'-deoxy-, monoanhydride with ((4-((2-chloroethyl)methylamino)phenyl)methyl)phosphoramidic acid
| Molecular Formula | C20H29ClN7O11P3 |
|---|---|
| Molecular Weight | 671.08 g/mol |
| LogP | -1.9 |
| Topological Polar Surface Area | 254.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 14 |
| Exact Mass | 671.08264 |
| Heavy Atoms | 42 |
| Complexity | 1040.0 |
Chemical Identifiers
| CAS Number | 75795-00-5 |
|---|---|
| SMILES | CN(CCCl)C1=CC=C(C=C1)CNP(=O)(O)OP(=O)(OC[C@@H]2[C@H](C[C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)OP(=O)(O)O |
| InChIKey | HSFHKUYDMHPOSJ-FNNWXVPJSA-N |
Product Overview
4-(N-2-chloroethyl-N-methylamino)benzyl-gamma-amide dATP (CAS 75795-00-5), with molecular formula C20H29ClN7O11P3 and molecular weight 671.08 g/mol. IUPAC: [[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-phosphonooxyphosphoryl]oxy-N-[[4-[2-chloroethyl(methyl)amino]phenyl]methyl]phosphonamidic acid.
Chemical Property Profile of 4-(N-2-chloroethyl-N-methylamino)benzyl-gamma-amide dATP
Property Insights of 4-(N-2-chloroethyl-N-methylamino)benzyl-gamma-amide dATP
The XLogP value of -1.9 indicates that 4-(N-2-chloroethyl-N-methylamino)benzyl-gamma-amide dATP is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 254.0 Ų indicates high polarity, suggesting 4-(N-2-chloroethyl-N-methylamino)benzyl-gamma-amide dATP may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-(N-2-chloroethyl-N-methylamino)benzyl-gamma-amide dATP has 6 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-2-chloroethyl-N-methylamino)benzyl-gamma-amide dATP?
The CAS number of 4-(N-2-chloroethyl-N-methylamino)benzyl-gamma-amide dATP is 75795-00-5.
What is the molecular formula of 4-(N-2-chloroethyl-N-methylamino)benzyl-gamma-amide dATP?
The molecular formula of 4-(N-2-chloroethyl-N-methylamino)benzyl-gamma-amide dATP is C20H29ClN7O11P3.
What is the molecular weight of 4-(N-2-chloroethyl-N-methylamino)benzyl-gamma-amide dATP?
The molecular weight of 4-(N-2-chloroethyl-N-methylamino)benzyl-gamma-amide dATP is 671.08 g/mol.
Where can I buy 4-(N-2-chloroethyl-N-methylamino)benzyl-gamma-amide dATP?
You can request a quote for 4-(N-2-chloroethyl-N-methylamino)benzyl-gamma-amide 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-2-chloroethyl-N-methylamino)benzyl-gamma-amide dATP?
Yes, KEHONG BIO provides custom synthesis services for 4-(N-2-chloroethyl-N-methylamino)benzyl-gamma-amide dATP and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.