Berteroin
TL;DR: Berteroin (CAS 4430-42-6) is a chemical compound with molecular formula C7H13NS2 and molecular weight 175.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-isothiocyanato-5-methylsulfanylpentane
Also Known As: Berteroin, 5-Methylthiopentyl isothiocyanate, 1-isothiocyanato-5-methylsulfanylpentane, 5-(Methylthio)pentyl isothiocyanate, (5-Isothiocyanatopentyl)(methyl)sulfane
| Molecular Formula | C7H13NS2 |
|---|---|
| Molecular Weight | 175.05 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 69.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 175.04893 |
| Heavy Atoms | 10 |
| Complexity | 108.0 |
Chemical Identifiers
| CAS Number | 4430-42-6 |
|---|---|
| SMILES | CSCCCCCN=C=S |
| InChIKey | HBVIMVJTUQNSEP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Berteroin (CAS 4430-42-6), with molecular formula C7H13NS2 and molecular weight 175.05 g/mol. IUPAC: 1-isothiocyanato-5-methylsulfanylpentane.
Chemical Property Profile of Berteroin
Property Insights of Berteroin
The XLogP value of 3.3 indicates that Berteroin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Berteroin. Following Lipinski's Rule of Five, Berteroin has 0 hydrogen bond donor(s) and 3 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 Berteroin?
The CAS number of Berteroin is 4430-42-6.
What is the molecular formula of Berteroin?
The molecular formula of Berteroin is C7H13NS2.
What is the molecular weight of Berteroin?
The molecular weight of Berteroin is 175.05 g/mol.
Where can I buy Berteroin?
You can request a quote for Berteroin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Berteroin?
Yes, KEHONG BIO provides custom synthesis services for Berteroin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.