H-1101
TL;DR: H-1101 (CAS 42824-29-3) is a chemical compound with molecular formula C28H34ClNO3 and molecular weight 467.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[(E)-1,2-bis(4-methoxyphenyl)but-1-enyl]phenoxy]ethyl-dimethylazanium chloride
Also Known As: H-1101, Ethylamine, 2-(p-(1,2-bis(p-methoxyphenyl)-1-butenyl)phenoxy)-N,N-dimethyl-, hydrochloride, 2-(p-(1,2-Bis(p-methoxyphenyl)-1-butenyl)phenoxy)-N,N-dimethylethylamine hydrochloride, 2-[4-[(E)-1,2-bis(4-methoxyphenyl)but-1-enyl]phenoxy]ethyl-dimethylazanium chloride
| Molecular Formula | C28H34ClNO3 |
|---|---|
| Molecular Weight | 467.22 g/mol |
| LogP | 1.6002 |
| Topological Polar Surface Area | 32.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 467.22272 |
| Heavy Atoms | 33 |
| Complexity | 1010.51794 |
Chemical Identifiers
| CAS Number | 42824-29-3 |
|---|---|
| SMILES | CC/C(=C(/C1=CC=C(C=C1)OC)\C2=CC=C(C=C2)OCC[NH+](C)C)/C3=CC=C(C=C3)OC.[Cl-] |
Product Overview
H-1101 (CAS 42824-29-3), with molecular formula C28H34ClNO3 and molecular weight 467.22 g/mol. IUPAC: 2-[4-[(E)-1,2-bis(4-methoxyphenyl)but-1-enyl]phenoxy]ethyl-dimethylazanium chloride.
Chemical Property Profile of H-1101
Property Insights of H-1101
The XLogP value of 1.6002 suggests moderate lipophilicity, balancing water solubility and membrane permeability for H-1101. With a topological polar surface area (TPSA) of 32.13 Ų, H-1101 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, H-1101 has 1 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 H-1101?
The CAS number of H-1101 is 42824-29-3.
What is the molecular formula of H-1101?
The molecular formula of H-1101 is C28H34ClNO3.
What is the molecular weight of H-1101?
The molecular weight of H-1101 is 467.22 g/mol.
Where can I buy H-1101?
You can request a quote for H-1101 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for H-1101?
Yes, KEHONG BIO provides custom synthesis services for H-1101 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.