![Allyl [(4-amino-5-benzyl-2-pyrimidinyl)sulfanyl]acetate structure](/static/products/476/476302-23-5.png)
Allyl [(4-amino-5-benzyl-2-pyrimidinyl)sulfanyl]acetate
TL;DR: Allyl [(4-amino-5-benzyl-2-pyrimidinyl)sulfanyl]acetate (CAS 476302-23-5) is a chemical compound with molecular formula C16H17N3O2S and molecular weight 315.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl 2-(4-amino-5-benzylpyrimidin-2-yl)sulfanylacetate
Also Known As: Allyl [(4-amino-5-benzyl-2-pyrimidinyl)sulfanyl]acetate, EINECS 225-303-7, prop-2-enyl 2-(4-amino-5-benzylpyrimidin-2-yl)sulfanylacetate, [[4-Amino-5-(phenylmethyl)-2-pyrimidinyl]thio]acetic acid allyl ester, (4-Amino-5-benzyl-pyrimidin-2-ylsulfanyl)-aceticacidallylester
| Molecular Formula | C16H17N3O2S |
|---|---|
| Molecular Weight | 315.10 g/mol |
| LogP | 2.4709 |
| Topological Polar Surface Area | 78.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 315.10416 |
| Heavy Atoms | 22 |
| Complexity | 647.0941 |
Chemical Identifiers
| CAS Number | 476302-23-5 |
|---|---|
| SMILES | C=CCOC(=O)CSC1=NC=C(C(=N1)N)CC2=CC=CC=C2 |
Product Overview
Allyl [(4-amino-5-benzyl-2-pyrimidinyl)sulfanyl]acetate (CAS 476302-23-5), with molecular formula C16H17N3O2S and molecular weight 315.10 g/mol. IUPAC: prop-2-enyl 2-(4-amino-5-benzylpyrimidin-2-yl)sulfanylacetate.
Chemical Property Profile of Allyl [(4-amino-5-benzyl-2-pyrimidinyl)sulfanyl]acetate
Property Insights of Allyl [(4-amino-5-benzyl-2-pyrimidinyl)sulfanyl]acetate
The XLogP value of 2.4709 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Allyl [(4-amino-5-benzyl-2-pyrimidinyl)sulfanyl]acetate. The TPSA of 78.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Allyl [(4-amino-5-benzyl-2-pyrimidinyl)sulfanyl]acetate. Following Lipinski's Rule of Five, Allyl [(4-amino-5-benzyl-2-pyrimidinyl)sulfanyl]acetate has 1 hydrogen bond donor(s) and 6 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 Allyl [(4-amino-5-benzyl-2-pyrimidinyl)sulfanyl]acetate?
The CAS number of Allyl [(4-amino-5-benzyl-2-pyrimidinyl)sulfanyl]acetate is 476302-23-5.
What is the molecular formula of Allyl [(4-amino-5-benzyl-2-pyrimidinyl)sulfanyl]acetate?
The molecular formula of Allyl [(4-amino-5-benzyl-2-pyrimidinyl)sulfanyl]acetate is C16H17N3O2S.
What is the molecular weight of Allyl [(4-amino-5-benzyl-2-pyrimidinyl)sulfanyl]acetate?
The molecular weight of Allyl [(4-amino-5-benzyl-2-pyrimidinyl)sulfanyl]acetate is 315.10 g/mol.
Where can I buy Allyl [(4-amino-5-benzyl-2-pyrimidinyl)sulfanyl]acetate?
You can request a quote for Allyl [(4-amino-5-benzyl-2-pyrimidinyl)sulfanyl]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Allyl [(4-amino-5-benzyl-2-pyrimidinyl)sulfanyl]acetate?
Yes, KEHONG BIO provides custom synthesis services for Allyl [(4-amino-5-benzyl-2-pyrimidinyl)sulfanyl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.