RefChem:312590
TL;DR: RefChem:312590 (CAS 13388-10-8) is a chemical compound with molecular formula C25H32ClNO and molecular weight 397.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethoxy)ethyl]azepane;hydrochloride
Also Known As: 11-(2-(Hexahydro-1H-azepin-1-yl)ethoxymethyl)-9,10-dihydro-9,10-ethanoanthracene HCl, 9,10-Dihydro-11-(2-(hexahydro-1H-azepin-1-yl)ethoxymethyl)-9,10-ethanoanthracene HCl, 9,10-Ethanoanthracene, 9,10-dihydro-11-(2-(hexahydro-1H-azepin-1-yl)ethoxymethyl)-, hydrochloride, 1-{2-[(9,10-Dihydro-9,10-ethanoanthracen-11-yl)methoxy]ethyl}azepane--hydrogen chloride (1/1), 1H-Azepine, 1-[2-[(9,10-dihydro-9,10-ethanoanthracen-11-yl)methoxy]ethyl]hexahydro-, hydrochloride
| Molecular Formula | C25H32ClNO |
|---|---|
| Molecular Weight | 397.22 g/mol |
| LogP | 5.5981 |
| Topological Polar Surface Area | 12.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 397.21725 |
| Heavy Atoms | 28 |
| Complexity | 447.0 |
Chemical Identifiers
| CAS Number | 13388-10-8 |
|---|---|
| SMILES | C1CCCN(CC1)CCOCC2CC3C4=CC=CC=C4C2C5=CC=CC=C35.Cl |
| InChIKey | VKTSSKLXKXJXCH-UHFFFAOYSA-N |
Product Overview
RefChem:312590 (CAS 13388-10-8), with molecular formula C25H32ClNO and molecular weight 397.22 g/mol. IUPAC: 1-[2-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethoxy)ethyl]azepane;hydrochloride.
Chemical Property Profile of RefChem:312590
Property Insights of RefChem:312590
The XLogP value of 5.5981 indicates that RefChem:312590 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.5 Ų, RefChem:312590 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:312590 has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:312590?
The CAS number of RefChem:312590 is 13388-10-8.
What is the molecular formula of RefChem:312590?
The molecular formula of RefChem:312590 is C25H32ClNO.
What is the molecular weight of RefChem:312590?
The molecular weight of RefChem:312590 is 397.22 g/mol.
Where can I buy RefChem:312590?
You can request a quote for RefChem:312590 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:312590?
Yes, KEHONG BIO provides custom synthesis services for RefChem:312590 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.