Brommesaconsaeure
TL;DR: Brommesaconsaeure (CAS 32319-89-4) is a chemical compound with molecular formula C8H14FN3O4S and molecular weight 267.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,1-dioxothian-4-yl)-1-(2-fluoroethyl)-1-nitrosourea
Also Known As: Brommesaconsaeure, Urea, S,S-dioxide, 3-(1,1-dioxothian-4-yl)-1-(2-fluoroethyl)-1-nitrosourea, Urea, 1-(2-fluoroethyl)-1-nitroso-3-(tetrahydro-2H-thiopyran-4-yl)-, S,S-dioxide, 1-(2-Fluoroethyl)-1-nitroso-3-(tetrahydro-2H-thiopyran-4-yl)urea S,S-dioxide
| Molecular Formula | C8H14FN3O4S |
|---|---|
| Molecular Weight | 267.07 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 267.0689 |
| Heavy Atoms | 17 |
| Complexity | 367.0 |
Chemical Identifiers
| CAS Number | 32319-89-4 |
|---|---|
| SMILES | C1CS(=O)(=O)CCC1NC(=O)N(CCF)N=O |
| InChIKey | LKCXGNNLVAZPIG-UHFFFAOYSA-N |
Product Overview
Brommesaconsaeure (CAS 32319-89-4), with molecular formula C8H14FN3O4S and molecular weight 267.07 g/mol. IUPAC: 3-(1,1-dioxothian-4-yl)-1-(2-fluoroethyl)-1-nitrosourea.
Chemical Property Profile of Brommesaconsaeure
Property Insights of Brommesaconsaeure
The XLogP value of -0.1 indicates that Brommesaconsaeure is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Brommesaconsaeure. Following Lipinski's Rule of Five, Brommesaconsaeure has 1 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 Brommesaconsaeure?
The CAS number of Brommesaconsaeure is 32319-89-4.
What is the molecular formula of Brommesaconsaeure?
The molecular formula of Brommesaconsaeure is C8H14FN3O4S.
What is the molecular weight of Brommesaconsaeure?
The molecular weight of Brommesaconsaeure is 267.07 g/mol.
Where can I buy Brommesaconsaeure?
You can request a quote for Brommesaconsaeure directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Brommesaconsaeure?
Yes, KEHONG BIO provides custom synthesis services for Brommesaconsaeure and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.