RefChem:337055
TL;DR: RefChem:337055 (CAS 42981-87-3) is a chemical compound with molecular formula C19H22ClNO2 and molecular weight 331.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(dimethylamino)methyl]-6-methoxytricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-ol;hydrochloride
Also Known As: 1-(Dimethylamino)methyl-2-methoxydibenzo(a,e)cycloheptatrien-5-ol hydrochloride, Dibenzo(a,e)cycloheptatrien-5-ol, 1-(dimethylamino)methyl-2-methoxy-, hydrochloride, 1-[(Dimethylamino)methyl]-2-methoxy-5H-dibenzo[a,d][7]annulen-5-ol--hydrogen chloride (1/1), RefChem:337055
| Molecular Formula | C19H22ClNO2 |
|---|---|
| Molecular Weight | 331.13 g/mol |
| LogP | 3.7441 |
| Topological Polar Surface Area | 32.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 331.1339 |
| Heavy Atoms | 23 |
| Complexity | 395.0 |
Chemical Identifiers
| CAS Number | 42981-87-3 |
|---|---|
| SMILES | CN(C)CC1=C(C=CC2=C1C=CC3=CC=CC=C3C2O)OC.Cl |
| InChIKey | FCWFOYMDAYEYLV-UHFFFAOYSA-N |
Product Overview
RefChem:337055 (CAS 42981-87-3), with molecular formula C19H22ClNO2 and molecular weight 331.13 g/mol. IUPAC: 7-[(dimethylamino)methyl]-6-methoxytricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-ol;hydrochloride.
Chemical Property Profile of RefChem:337055
Property Insights of RefChem:337055
The XLogP value of 3.7441 indicates that RefChem:337055 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.7 Ų, RefChem:337055 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:337055 has 2 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 RefChem:337055?
The CAS number of RefChem:337055 is 42981-87-3.
What is the molecular formula of RefChem:337055?
The molecular formula of RefChem:337055 is C19H22ClNO2.
What is the molecular weight of RefChem:337055?
The molecular weight of RefChem:337055 is 331.13 g/mol.
Where can I buy RefChem:337055?
You can request a quote for RefChem:337055 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:337055?
Yes, KEHONG BIO provides custom synthesis services for RefChem:337055 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.