C12H14BrNOS.ClH
TL;DR: C12H14BrNOS.ClH (CAS 100098-72-4) is a chemical compound with molecular formula C12H15BrClNOS and molecular weight 334.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-bromophenyl)methylsulfanyl]-4,4-dimethyl-5H-1,3-oxazole;hydrochloride
Also Known As: Oxazole, 4,5-dihydro-2-(((3-bromophenyl)methyl)thio)-4,4-dimethyl-, hydrochloride, 2-(3-Bromobenzylthio)-4,4-dimethyl-2-oxazoline hydrochloride, 2-[(3-bromophenyl)methylsulfanyl]-4,4-dimethyl-5H-1,3-oxazole hydrochloride, 4,5-Dihydro-2-(((3-bromophenyl)methyl)thio)-4,4-dimethyloxazole hydrochloride, 2-[(3-bromophenyl)methylsulfanyl]-4,4-dimethyl-5H-1,3-oxazole;hydrochloride
| Molecular Formula | C12H15BrClNOS |
|---|---|
| Molecular Weight | 334.97 g/mol |
| LogP | 4.2689 |
| Topological Polar Surface Area | 21.59 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 334.97464 |
| Heavy Atoms | 17 |
| Complexity | 422.7216 |
Chemical Identifiers
| CAS Number | 100098-72-4 |
|---|---|
| SMILES | CC1(COC(=N1)SCC2=CC(=CC=C2)Br)C.Cl |
Product Overview
C12H14BrNOS.ClH (CAS 100098-72-4), with molecular formula C12H15BrClNOS and molecular weight 334.97 g/mol. IUPAC: 2-[(3-bromophenyl)methylsulfanyl]-4,4-dimethyl-5H-1,3-oxazole;hydrochloride.
Chemical Property Profile of C12H14BrNOS.ClH
Property Insights of C12H14BrNOS.ClH
The XLogP value of 4.2689 indicates that C12H14BrNOS.ClH is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.59 Ų, C12H14BrNOS.ClH exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C12H14BrNOS.ClH 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 C12H14BrNOS.ClH?
The CAS number of C12H14BrNOS.ClH is 100098-72-4.
What is the molecular formula of C12H14BrNOS.ClH?
The molecular formula of C12H14BrNOS.ClH is C12H15BrClNOS.
What is the molecular weight of C12H14BrNOS.ClH?
The molecular weight of C12H14BrNOS.ClH is 334.97 g/mol.
Where can I buy C12H14BrNOS.ClH?
You can request a quote for C12H14BrNOS.ClH directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C12H14BrNOS.ClH?
Yes, KEHONG BIO provides custom synthesis services for C12H14BrNOS.ClH and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.