Cambridge id 5533281
TL;DR: Cambridge id 5533281 (CAS 325974-62-7) is a chemical compound with molecular formula C17H19ClN2O3 and molecular weight 334.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-dihydro-1H-isochromen-1-yl)-N-[(4-nitrophenyl)methyl]methanamine;hydrochloride
Also Known As: BIM-0023688.P001, 1-(isochroman-1-yl)-N-(4-nitrobenzyl)methanamine hydrochloride, 1-(3,4-dihydro-1H-isochromen-1-yl)-N-[(4-nitrophenyl)methyl]methanamine hydrochloride
| Molecular Formula | C17H19ClN2O3 |
|---|---|
| Molecular Weight | 334.11 g/mol |
| LogP | 3.4202 |
| Topological Polar Surface Area | 64.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 334.10843 |
| Heavy Atoms | 23 |
| Complexity | 661.143 |
Chemical Identifiers
| CAS Number | 325974-62-7 |
|---|---|
| SMILES | C1COC(C2=CC=CC=C21)CNCC3=CC=C(C=C3)[N+](=O)[O-].Cl |
Product Overview
Cambridge id 5533281 (CAS 325974-62-7), with molecular formula C17H19ClN2O3 and molecular weight 334.11 g/mol. IUPAC: 1-(3,4-dihydro-1H-isochromen-1-yl)-N-[(4-nitrophenyl)methyl]methanamine;hydrochloride.
Chemical Property Profile of Cambridge id 5533281
Property Insights of Cambridge id 5533281
The XLogP value of 3.4202 indicates that Cambridge id 5533281 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Cambridge id 5533281. Following Lipinski's Rule of Five, Cambridge id 5533281 has 1 hydrogen bond donor(s) and 4 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 Cambridge id 5533281?
The CAS number of Cambridge id 5533281 is 325974-62-7.
What is the molecular formula of Cambridge id 5533281?
The molecular formula of Cambridge id 5533281 is C17H19ClN2O3.
What is the molecular weight of Cambridge id 5533281?
The molecular weight of Cambridge id 5533281 is 334.11 g/mol.
Where can I buy Cambridge id 5533281?
You can request a quote for Cambridge id 5533281 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cambridge id 5533281?
Yes, KEHONG BIO provides custom synthesis services for Cambridge id 5533281 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.