A 31472
TL;DR: A 31472 (CAS 69319-52-4) is a chemical compound with molecular formula C22H22ClN and molecular weight 335.14 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
Also Known As: A 31472, A-31472, 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, Spiro(2-cyclohexene-1,5'-(5H)dibenzo(a,d)cyclohepten)-4-amine, 3'-chloro-N,N-dimethyl-, (1S-cis)-, Spiro(2-cyclohexene-1,5'-(5H)dibenzo(a,d)cyclohepten)-4-amine, 3'-chloro-N,N-dimethyl-, (1S,4R)-
| Molecular Formula | C22H22ClN |
|---|---|
| Molecular Weight | 335.14 g/mol |
| LogP | 5.3901 |
| Topological Polar Surface Area | 3.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 335.14407 |
| Heavy Atoms | 24 |
| Complexity | 833.6136 |
Chemical Identifiers
| CAS Number | 69319-52-4 |
|---|---|
| SMILES | CN(C)C1CCC2(C=C1)C3=CC=CC=C3C=CC4=C2C=C(C=C4)Cl |
Product Overview
A 31472 (CAS 69319-52-4), with molecular formula C22H22ClN and molecular weight 335.14 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.
Chemical Property Profile of A 31472
Property Insights of A 31472
The XLogP value of 5.3901 indicates that A 31472 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.24 Ų, A 31472 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A 31472 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 A 31472?
The CAS number of A 31472 is 69319-52-4.
What is the molecular formula of A 31472?
The molecular formula of A 31472 is C22H22ClN.
What is the molecular weight of A 31472?
The molecular weight of A 31472 is 335.14 g/mol.
Where can I buy A 31472?
You can request a quote for A 31472 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A 31472?
Yes, KEHONG BIO provides custom synthesis services for A 31472 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.