2,3-Dibromopropyl isothiocyanate
TL;DR: 2,3-Dibromopropyl isothiocyanate (CAS 51784-10-2) is a chemical compound with molecular formula C4H5Br2NS and molecular weight 256.85 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2-dibromo-3-isothiocyanatopropane
Also Known As: 2,3-Dibromopropyl isothiocyanate, 1,2-Dibromo-3-isothiocyanatopropane, 2,3-dibromopropanisothiocyanate, 2,3-Dibromopropylisothiocyanate, Propane,1,2-dibromo-3-isothiocyanato-
| Molecular Formula | C4H5Br2NS |
|---|---|
| Molecular Weight | 256.85 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 44.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 256.85095 |
| Heavy Atoms | 8 |
| Complexity | 100.0 |
Chemical Identifiers
| CAS Number | 51784-10-2 |
|---|---|
| SMILES | C(C(CBr)Br)N=C=S |
| InChIKey | AFQQAAKQKFCSPQ-UHFFFAOYSA-N |
Product Overview
2,3-Dibromopropyl isothiocyanate (CAS 51784-10-2), with molecular formula C4H5Br2NS and molecular weight 256.85 g/mol. IUPAC: 1,2-dibromo-3-isothiocyanatopropane.
Chemical Property Profile of 2,3-Dibromopropyl isothiocyanate
Property Insights of 2,3-Dibromopropyl isothiocyanate
The XLogP value of 3.2 indicates that 2,3-Dibromopropyl isothiocyanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.5 Ų, 2,3-Dibromopropyl isothiocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-Dibromopropyl isothiocyanate has 0 hydrogen bond donor(s) and 2 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 2,3-Dibromopropyl isothiocyanate?
The CAS number of 2,3-Dibromopropyl isothiocyanate is 51784-10-2.
What is the molecular formula of 2,3-Dibromopropyl isothiocyanate?
The molecular formula of 2,3-Dibromopropyl isothiocyanate is C4H5Br2NS.
What is the molecular weight of 2,3-Dibromopropyl isothiocyanate?
The molecular weight of 2,3-Dibromopropyl isothiocyanate is 256.85 g/mol.
Where can I buy 2,3-Dibromopropyl isothiocyanate?
You can request a quote for 2,3-Dibromopropyl isothiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Dibromopropyl isothiocyanate?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Dibromopropyl isothiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.