C13H13Cl2NO.ClH
TL;DR: C13H13Cl2NO.ClH (CAS 100098-74-6) is a chemical compound with molecular formula C13H14Cl3NO and molecular weight 305.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(E)-2-(3,4-dichlorophenyl)ethenyl]-4,4-dimethyl-5H-1,3-oxazole;hydrochloride
Also Known As: (E)-2-(3,4-Dichlorostyryl)-4,4-dimethyl-2-oxazoline hydrochloride, Oxazole, 4,5-dihydro-2-(2-(3,4-dichlorophenyl)ethenyl)-4,4-dimethyl-, hydrochloride, (E)-, (E)-4,5-Dihydro-2-(2-(3,4-dichlorophenyl)ethenyl)-4,4-dimethyloxazole hydrochloride, 2-[(E)-2-(3,4-dichlorophenyl)ethenyl]-4,4-dimethyl-5H-1,3-oxazole hydrochloride, 2-[(E)-2-(3,4-dichlorophenyl)ethenyl]-4,4-dimethyl-5H-1,3-oxazole,hydrochloride
| Molecular Formula | C13H14Cl3NO |
|---|---|
| Molecular Weight | 305.01 g/mol |
| LogP | 4.6357 |
| Topological Polar Surface Area | 21.59 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 305.0141 |
| Heavy Atoms | 18 |
| Complexity | 495.00977 |
Chemical Identifiers
| CAS Number | 100098-74-6 |
|---|---|
| SMILES | CC1(COC(=N1)/C=C/C2=CC(=C(C=C2)Cl)Cl)C.Cl |
Product Overview
C13H13Cl2NO.ClH (CAS 100098-74-6), with molecular formula C13H14Cl3NO and molecular weight 305.01 g/mol. IUPAC: 2-[(E)-2-(3,4-dichlorophenyl)ethenyl]-4,4-dimethyl-5H-1,3-oxazole;hydrochloride.
Chemical Property Profile of C13H13Cl2NO.ClH
Property Insights of C13H13Cl2NO.ClH
The XLogP value of 4.6357 indicates that C13H13Cl2NO.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, C13H13Cl2NO.ClH exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C13H13Cl2NO.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 C13H13Cl2NO.ClH?
The CAS number of C13H13Cl2NO.ClH is 100098-74-6.
What is the molecular formula of C13H13Cl2NO.ClH?
The molecular formula of C13H13Cl2NO.ClH is C13H14Cl3NO.
What is the molecular weight of C13H13Cl2NO.ClH?
The molecular weight of C13H13Cl2NO.ClH is 305.01 g/mol.
Where can I buy C13H13Cl2NO.ClH?
You can request a quote for C13H13Cl2NO.ClH directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C13H13Cl2NO.ClH?
Yes, KEHONG BIO provides custom synthesis services for C13H13Cl2NO.ClH and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.