C13H14BrNO.ClH
TL;DR: C13H14BrNO.ClH (CAS 100098-76-8) is a chemical compound with molecular formula C13H15BrClNO and molecular weight 315.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(E)-2-(3-bromophenyl)ethenyl]-4,4-dimethyl-5H-1,3-oxazole;hydrochloride
Also Known As: (E)-2-(3-Bromostyryl)-4,4-dimethyl-2-oxazoline hydrochloride, Oxazole, 4,5-dihydro-2-(2-(3-bromophenyl)ethenyl)-4,4-dimethyl-, hydrochloride, (E)-, (E)-4,5-Dihydro-2-(2-(3-bromophenyl)ethenyl)-4,4-dimethyloxazole hydrochloride, 2-[(E)-2-(3-bromophenyl)ethenyl]-4,4-dimethyl-5H-1,3-oxazole hydrochloride, 2-[(E)-2-(3-bromophenyl)ethenyl]-4,4-dimethyl-5H-1,3-oxazole,hydrochloride
| Molecular Formula | C13H15BrClNO |
|---|---|
| Molecular Weight | 315.00 g/mol |
| LogP | 4.0914 |
| Topological Polar Surface Area | 21.59 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 315.00256 |
| Heavy Atoms | 17 |
| Complexity | 454.4876 |
Chemical Identifiers
| CAS Number | 100098-76-8 |
|---|---|
| SMILES | CC1(COC(=N1)/C=C/C2=CC(=CC=C2)Br)C.Cl |
Product Overview
C13H14BrNO.ClH (CAS 100098-76-8), with molecular formula C13H15BrClNO and molecular weight 315.00 g/mol. IUPAC: 2-[(E)-2-(3-bromophenyl)ethenyl]-4,4-dimethyl-5H-1,3-oxazole;hydrochloride.
Chemical Property Profile of C13H14BrNO.ClH
Property Insights of C13H14BrNO.ClH
The XLogP value of 4.0914 indicates that C13H14BrNO.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, C13H14BrNO.ClH exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C13H14BrNO.ClH 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 C13H14BrNO.ClH?
The CAS number of C13H14BrNO.ClH is 100098-76-8.
What is the molecular formula of C13H14BrNO.ClH?
The molecular formula of C13H14BrNO.ClH is C13H15BrClNO.
What is the molecular weight of C13H14BrNO.ClH?
The molecular weight of C13H14BrNO.ClH is 315.00 g/mol.
Where can I buy C13H14BrNO.ClH?
You can request a quote for C13H14BrNO.ClH directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C13H14BrNO.ClH?
Yes, KEHONG BIO provides custom synthesis services for C13H14BrNO.ClH and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.