SIR 114
TL;DR: SIR 114 (CAS 41659-20-5) is a chemical compound with molecular formula C22H23Cl2N and molecular weight 371.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5'-chloro-N,N-dimethylspiro[cyclohex-2-ene-4,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-1-amine;hydrochloride
Also Known As: SIR 114, 3-Chloro-N,N-dimethylspiro(5H-dibenzo(a,d)cycloheptene-5,1'-cyclohex-2'-en)-4'-amine, Spiro(5H-dibenzo(a,d)cycloheptene-5,1'-cyclohex-2'-en)-4'-amine, 3-chloro-N,N-dimethyl-, hydrochloride, 3'-Chloro-N,N-dimethylspiro[cyclohex-2-ene-1,5'-dibenzo[a,d][7]annulen]-4-amine--hydrogen chloride (1/1), Spiro[2-cyclohexene-1,5'-[5H]dibenzo[a,d]cyclohepten]-4-amine, 3'-chloro-N,N-dimethyl-, hydrochloride
| Molecular Formula | C22H23Cl2N |
|---|---|
| Molecular Weight | 371.12 g/mol |
| LogP | 5.8119 |
| Topological Polar Surface Area | 3.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 371.12076 |
| Heavy Atoms | 25 |
| Complexity | 837.6709 |
Chemical Identifiers
| CAS Number | 41659-20-5 |
|---|---|
| SMILES | CN(C)C1CCC2(C=C1)C3=CC=CC=C3C=CC4=C2C=C(C=C4)Cl.Cl |
Product Overview
SIR 114 (CAS 41659-20-5), with molecular formula C22H23Cl2N and molecular weight 371.12 g/mol. IUPAC: 5'-chloro-N,N-dimethylspiro[cyclohex-2-ene-4,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-1-amine;hydrochloride.
Chemical Property Profile of SIR 114
Property Insights of SIR 114
The XLogP value of 5.8119 indicates that SIR 114 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.24 Ų, SIR 114 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, SIR 114 has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of SIR 114?
The CAS number of SIR 114 is 41659-20-5.
What is the molecular formula of SIR 114?
The molecular formula of SIR 114 is C22H23Cl2N.
What is the molecular weight of SIR 114?
The molecular weight of SIR 114 is 371.12 g/mol.
Where can I buy SIR 114?
You can request a quote for SIR 114 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for SIR 114?
Yes, KEHONG BIO provides custom synthesis services for SIR 114 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.