Heptyl carbamimidothioate;2,4,6-trinitrophenol
TL;DR: Heptyl carbamimidothioate;2,4,6-trinitrophenol (CAS 7176-39-8) is a chemical compound with molecular formula C14H21N5O7S and molecular weight 403.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
heptyl carbamimidothioate;2,4,6-trinitrophenol
Also Known As: 2,5-dimethyl-3-methylsulfanyl-furan, heptyl carbamimidothioate- 2,4,6-trinitrophenol(1:1), Heptyl carbamimidothioate;2,4,6-trinitrophenol, heptyl carbamimidothioate; 2,4,6-trinitrophenol, Heptyl carbamimidothioate--2,4,6-trinitrophenol (1/1)
| Molecular Formula | C14H21N5O7S |
|---|---|
| Molecular Weight | 403.12 g/mol |
| LogP | 3.70027 |
| Topological Polar Surface Area | 233.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 403.11618 |
| Heavy Atoms | 27 |
| Complexity | 396.0 |
Chemical Identifiers
| CAS Number | 7176-39-8 |
|---|---|
| SMILES | CCCCCCCSC(=N)N.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | RAERTVIUGSNBOL-UHFFFAOYSA-N |
Product Overview
Heptyl carbamimidothioate;2,4,6-trinitrophenol (CAS 7176-39-8), with molecular formula C14H21N5O7S and molecular weight 403.12 g/mol. IUPAC: heptyl carbamimidothioate;2,4,6-trinitrophenol.
Chemical Property Profile of Heptyl carbamimidothioate;2,4,6-trinitrophenol
Property Insights of Heptyl carbamimidothioate;2,4,6-trinitrophenol
The XLogP value of 3.70027 indicates that Heptyl carbamimidothioate;2,4,6-trinitrophenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 233.0 Ų indicates high polarity, suggesting Heptyl carbamimidothioate;2,4,6-trinitrophenol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Heptyl carbamimidothioate;2,4,6-trinitrophenol has 3 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 Heptyl carbamimidothioate;2,4,6-trinitrophenol?
The CAS number of Heptyl carbamimidothioate;2,4,6-trinitrophenol is 7176-39-8.
What is the molecular formula of Heptyl carbamimidothioate;2,4,6-trinitrophenol?
The molecular formula of Heptyl carbamimidothioate;2,4,6-trinitrophenol is C14H21N5O7S.
What is the molecular weight of Heptyl carbamimidothioate;2,4,6-trinitrophenol?
The molecular weight of Heptyl carbamimidothioate;2,4,6-trinitrophenol is 403.12 g/mol.
Where can I buy Heptyl carbamimidothioate;2,4,6-trinitrophenol?
You can request a quote for Heptyl carbamimidothioate;2,4,6-trinitrophenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Heptyl carbamimidothioate;2,4,6-trinitrophenol?
Yes, KEHONG BIO provides custom synthesis services for Heptyl carbamimidothioate;2,4,6-trinitrophenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.