Imet 3995
TL;DR: Imet 3995 (CAS 56915-10-7) is a chemical compound with molecular formula C15H20Cl3N3O and molecular weight 363.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[bis(2-chloroethyl)amino]-1,5-dimethyl-2-phenylpyrazol-3-one;hydrochloride
Also Known As: Imet 3995, 4-(Bis(2-chloroethyl)amino)-2,3-dimethyl-1-phenyl-3-pyrazolin-5-one hydrochloride, 4-(Bis(2-chloroethyl)amino)-2,3-dimethyl-1-phenylpyrazolon-(5) hydrochlorid [German], 3H-Pyrazol-3-one, 4-(bis(2-chloroethyl)amino)-1,2-dihydro-1,5-dimethyl-2-phenyl-, monohydrochloride, 4-(Bis(2-chloroethyl)amino)-2,3-dimethyl-1-phenylpyrazolon-(5) hydrochlorid
| Molecular Formula | C15H20Cl3N3O |
|---|---|
| Molecular Weight | 363.07 g/mol |
| LogP | 3.19022 |
| Topological Polar Surface Area | 26.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 363.0672 |
| Heavy Atoms | 22 |
| Complexity | 402.0 |
Chemical Identifiers
| CAS Number | 56915-10-7 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(CCCl)CCCl.Cl |
| InChIKey | JBZIFDJUVYABRD-UHFFFAOYSA-N |
Product Overview
Imet 3995 (CAS 56915-10-7), with molecular formula C15H20Cl3N3O and molecular weight 363.07 g/mol. IUPAC: 4-[bis(2-chloroethyl)amino]-1,5-dimethyl-2-phenylpyrazol-3-one;hydrochloride.
Chemical Property Profile of Imet 3995
Property Insights of Imet 3995
The XLogP value of 3.19022 indicates that Imet 3995 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.8 Ų, Imet 3995 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Imet 3995 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 Imet 3995?
The CAS number of Imet 3995 is 56915-10-7.
What is the molecular formula of Imet 3995?
The molecular formula of Imet 3995 is C15H20Cl3N3O.
What is the molecular weight of Imet 3995?
The molecular weight of Imet 3995 is 363.07 g/mol.
Where can I buy Imet 3995?
You can request a quote for Imet 3995 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Imet 3995?
Yes, KEHONG BIO provides custom synthesis services for Imet 3995 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.