Mono(4-aminophenyl)-3'-thymidylic acid ester
TL;DR: Mono(4-aminophenyl)-3'-thymidylic acid ester (CAS 29329-61-1) is a chemical compound with molecular formula C16H20N3O8P and molecular weight 413.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-aminophenyl) [(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] hydrogen phosphate
Also Known As: Maptmp, Mono(4-aminophenyl)-3'-thymidylic acid ester, 3 -Thymidylic acid 4-aminophenyl ester, 3'-p-aminophenylphosphate-2'-deoxythymidine, 3'-o-[(4-aminophenoxy)(hydroxy)phosphoryl]thymidine
| Molecular Formula | C16H20N3O8P |
|---|---|
| Molecular Weight | 413.10 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 161.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 413.09882 |
| Heavy Atoms | 28 |
| Complexity | 693.0 |
Chemical Identifiers
| CAS Number | 29329-61-1 |
|---|---|
| SMILES | CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)OP(=O)(O)OC3=CC=C(C=C3)N |
| InChIKey | HXGZBJUOISOSHJ-BFHYXJOUSA-N |
Product Overview
Mono(4-aminophenyl)-3'-thymidylic acid ester (CAS 29329-61-1), with molecular formula C16H20N3O8P and molecular weight 413.10 g/mol. IUPAC: (4-aminophenyl) [(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] hydrogen phosphate.
Chemical Property Profile of Mono(4-aminophenyl)-3'-thymidylic acid ester
Property Insights of Mono(4-aminophenyl)-3'-thymidylic acid ester
The XLogP value of -0.7 indicates that Mono(4-aminophenyl)-3'-thymidylic acid ester is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 161.0 Ų indicates high polarity, suggesting Mono(4-aminophenyl)-3'-thymidylic acid ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Mono(4-aminophenyl)-3'-thymidylic acid ester has 4 hydrogen bond donor(s) and 9 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 Mono(4-aminophenyl)-3'-thymidylic acid ester?
The CAS number of Mono(4-aminophenyl)-3'-thymidylic acid ester is 29329-61-1.
What is the molecular formula of Mono(4-aminophenyl)-3'-thymidylic acid ester?
The molecular formula of Mono(4-aminophenyl)-3'-thymidylic acid ester is C16H20N3O8P.
What is the molecular weight of Mono(4-aminophenyl)-3'-thymidylic acid ester?
The molecular weight of Mono(4-aminophenyl)-3'-thymidylic acid ester is 413.10 g/mol.
Where can I buy Mono(4-aminophenyl)-3'-thymidylic acid ester?
You can request a quote for Mono(4-aminophenyl)-3'-thymidylic acid ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mono(4-aminophenyl)-3'-thymidylic acid ester?
Yes, KEHONG BIO provides custom synthesis services for Mono(4-aminophenyl)-3'-thymidylic acid ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.