组胺二氯胺
TL;DR: 组胺二氯胺 (CAS 109241-52-3) is a chemical compound with molecular formula C1=C(NC=N1)CCN(Cl)Cl and molecular weight 179.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
组胺二氯胺
N,N-dichloro-2-(1H-imidazol-5-yl)ethanamine
Also Known As: Hisncl2, Histamine dichloramine, N,N-dichloro-2-(1H-imidazol-5-yl)ethanamine, 1H-Imidazole-4-ethanamine, N,N-dichloro-, 1H-Imidazole-5-ethanamine, N,N-dichloro-
| Molecular Formula | C1=C(NC=N1)CCN(Cl)Cl |
|---|---|
| Molecular Weight | 179.00 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 31.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 179.00171 |
| Heavy Atoms | 10 |
| Complexity | 98.0 |
Chemical Identifiers
| CAS Number | 109241-52-3 |
|---|---|
| SMILES | C1=C(NC=N1)CCN(Cl)Cl |
| InChIKey | FPUBZCQSPWVHEM-UHFFFAOYSA-N |
Product Overview
组胺二氯胺 (CAS 109241-52-3), with molecular formula C1=C(NC=N1)CCN(Cl)Cl and molecular weight 179.00 g/mol. IUPAC: N,N-dichloro-2-(1H-imidazol-5-yl)ethanamine.
Chemical Property Profile of 组胺二氯胺
Property Insights of 组胺二氯胺
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 组胺二氯胺. With a topological polar surface area (TPSA) of 31.9 Ų, 组胺二氯胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 组胺二氯胺 has 1 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 组胺二氯胺?
The CAS number of 组胺二氯胺 is 109241-52-3.
What is the molecular formula of 组胺二氯胺?
The molecular formula of 组胺二氯胺 is C1=C(NC=N1)CCN(Cl)Cl.
What is the molecular weight of 组胺二氯胺?
The molecular weight of 组胺二氯胺 is 179.00 g/mol.
Where can I buy 组胺二氯胺?
You can request a quote for 组胺二氯胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 组胺二氯胺?
Yes, KEHONG BIO provides custom synthesis services for 组胺二氯胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.