Ethyl 4-azidophenyl-1,4-dithiobutyrimidate
TL;DR: Ethyl 4-azidophenyl-1,4-dithiobutyrimidate (CAS 102568-44-5) is a chemical compound with molecular formula C12H17ClN4S2 and molecular weight 316.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(4-azidophenyl)sulfanylbutanimidothioate;hydrochloride
Also Known As: EADB, Ethyl 4-azidophenyl-1,4-dithiobutyrimidate, ethyl 4-(4-azidophenyl)sulfanylbutanimidothioate,hydrochloride, ethyl 4-(4-azidophenyl)sulfanylbutanimidothioate hydrochloride, ethyl 4-(4-azidophenyl)sulfanylbutanimidothioate;hydrochloride
| Molecular Formula | C12H17ClN4S2 |
|---|---|
| Molecular Weight | 316.06 g/mol |
| LogP | 5.65287 |
| Topological Polar Surface Area | 88.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 316.05832 |
| Heavy Atoms | 19 |
| Complexity | 294.0 |
Chemical Identifiers
| CAS Number | 102568-44-5 |
|---|---|
| SMILES | CCSC(=N)CCCSC1=CC=C(C=C1)N=[N+]=[N-].Cl |
| InChIKey | AJJLGMCBXZSSSA-UHFFFAOYSA-N |
Product Overview
Ethyl 4-azidophenyl-1,4-dithiobutyrimidate (CAS 102568-44-5), with molecular formula C12H17ClN4S2 and molecular weight 316.06 g/mol. IUPAC: ethyl 4-(4-azidophenyl)sulfanylbutanimidothioate;hydrochloride.
Chemical Property Profile of Ethyl 4-azidophenyl-1,4-dithiobutyrimidate
Property Insights of Ethyl 4-azidophenyl-1,4-dithiobutyrimidate
The XLogP value of 5.65287 indicates that Ethyl 4-azidophenyl-1,4-dithiobutyrimidate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-azidophenyl-1,4-dithiobutyrimidate. Following Lipinski's Rule of Five, Ethyl 4-azidophenyl-1,4-dithiobutyrimidate has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 4-azidophenyl-1,4-dithiobutyrimidate?
The CAS number of Ethyl 4-azidophenyl-1,4-dithiobutyrimidate is 102568-44-5.
What is the molecular formula of Ethyl 4-azidophenyl-1,4-dithiobutyrimidate?
The molecular formula of Ethyl 4-azidophenyl-1,4-dithiobutyrimidate is C12H17ClN4S2.
What is the molecular weight of Ethyl 4-azidophenyl-1,4-dithiobutyrimidate?
The molecular weight of Ethyl 4-azidophenyl-1,4-dithiobutyrimidate is 316.06 g/mol.
Where can I buy Ethyl 4-azidophenyl-1,4-dithiobutyrimidate?
You can request a quote for Ethyl 4-azidophenyl-1,4-dithiobutyrimidate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-azidophenyl-1,4-dithiobutyrimidate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-azidophenyl-1,4-dithiobutyrimidate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.