Methyl-5-(4-azidophenyl)-4,5-dithiapentanimidate
TL;DR: Methyl-5-(4-azidophenyl)-4,5-dithiapentanimidate (CAS 75221-90-8) is a chemical compound with molecular formula C10H13ClN4OS2 and molecular weight 304.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[(4-azidophenyl)disulfanyl]propanimidate;hydrochloride
Also Known As: APTPI, Methyl-5-(4-azidophenyl)-4,5-dithiapentanimidate, methyl 3-[(4-azidophenyl)disulfanyl]propanimidate,hydrochloride, methyl 3-[(4-azidophenyl)disulfanyl]propanimidate hydrochloride, Propanimidic acid, 3-((4-azidophenyl)dithio)-, methyl ester, monohydrochloride
| Molecular Formula | C10H13ClN4OS2 |
|---|---|
| Molecular Weight | 304.02 g/mol |
| LogP | 4.80427 |
| Topological Polar Surface Area | 98.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 304.02194 |
| Heavy Atoms | 18 |
| Complexity | 286.0 |
Chemical Identifiers
| CAS Number | 75221-90-8 |
|---|---|
| SMILES | COC(=N)CCSSC1=CC=C(C=C1)N=[N+]=[N-].Cl |
| InChIKey | WEDQPDUHMYSKDX-UHFFFAOYSA-N |
Product Overview
Methyl-5-(4-azidophenyl)-4,5-dithiapentanimidate (CAS 75221-90-8), with molecular formula C10H13ClN4OS2 and molecular weight 304.02 g/mol. IUPAC: methyl 3-[(4-azidophenyl)disulfanyl]propanimidate;hydrochloride.
Chemical Property Profile of Methyl-5-(4-azidophenyl)-4,5-dithiapentanimidate
Property Insights of Methyl-5-(4-azidophenyl)-4,5-dithiapentanimidate
The XLogP value of 4.80427 indicates that Methyl-5-(4-azidophenyl)-4,5-dithiapentanimidate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl-5-(4-azidophenyl)-4,5-dithiapentanimidate. Following Lipinski's Rule of Five, Methyl-5-(4-azidophenyl)-4,5-dithiapentanimidate has 2 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 Methyl-5-(4-azidophenyl)-4,5-dithiapentanimidate?
The CAS number of Methyl-5-(4-azidophenyl)-4,5-dithiapentanimidate is 75221-90-8.
What is the molecular formula of Methyl-5-(4-azidophenyl)-4,5-dithiapentanimidate?
The molecular formula of Methyl-5-(4-azidophenyl)-4,5-dithiapentanimidate is C10H13ClN4OS2.
What is the molecular weight of Methyl-5-(4-azidophenyl)-4,5-dithiapentanimidate?
The molecular weight of Methyl-5-(4-azidophenyl)-4,5-dithiapentanimidate is 304.02 g/mol.
Where can I buy Methyl-5-(4-azidophenyl)-4,5-dithiapentanimidate?
You can request a quote for Methyl-5-(4-azidophenyl)-4,5-dithiapentanimidate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl-5-(4-azidophenyl)-4,5-dithiapentanimidate?
Yes, KEHONG BIO provides custom synthesis services for Methyl-5-(4-azidophenyl)-4,5-dithiapentanimidate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.