RefChem:1053476
TL;DR: RefChem:1053476 (CAS 104802-61-1) is a chemical compound with molecular formula C35H52Cl2N2O4 and molecular weight 634.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-bis(azepan-1-yl)-1,5-bis(4-propoxyphenyl)pentane-1,5-dione;dihydrochloride
Also Known As: 2,4-Bis(hexahydro-1H-azepin-1-yl)-1,5-bis(4-propoxyphenyl)-1,5-pentanedione dihydrochloride, 1,5-Pentanedione, 2,4-bis(hexahydro-1H-azepin-1-yl)-1,5-bis(4-propoxyphenyl)-, dihydrochloride, 2,4-bis(azepan-1-yl)-1,5-bis(4-propoxyphenyl)pentane-1,5-dione dihydrochloride, 2,4-Bis(azepan-1-yl)-1,5-bis(4-propoxyphenyl)pentane-1,5-dione--hydrogen chloride (1/2), RefChem:1053476
| Molecular Formula | C35H52Cl2N2O4 |
|---|---|
| Molecular Weight | 634.33 g/mol |
| LogP | 8.0527 |
| Topological Polar Surface Area | 59.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 14 |
| Exact Mass | 634.3304 |
| Heavy Atoms | 43 |
| Complexity | 978.7553 |
Chemical Identifiers
| CAS Number | 104802-61-1 |
|---|---|
| SMILES | CCCOC1=CC=C(C=C1)C(=O)C(CC(C(=O)C2=CC=C(C=C2)OCCC)N3CCCCCC3)N4CCCCCC4.Cl.Cl |
Product Overview
RefChem:1053476 (CAS 104802-61-1), with molecular formula C35H52Cl2N2O4 and molecular weight 634.33 g/mol. IUPAC: 2,4-bis(azepan-1-yl)-1,5-bis(4-propoxyphenyl)pentane-1,5-dione;dihydrochloride.
Chemical Property Profile of RefChem:1053476
Property Insights of RefChem:1053476
The XLogP value of 8.0527 indicates that RefChem:1053476 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.08 Ų, RefChem:1053476 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1053476 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1053476?
The CAS number of RefChem:1053476 is 104802-61-1.
What is the molecular formula of RefChem:1053476?
The molecular formula of RefChem:1053476 is C35H52Cl2N2O4.
What is the molecular weight of RefChem:1053476?
The molecular weight of RefChem:1053476 is 634.33 g/mol.
Where can I buy RefChem:1053476?
You can request a quote for RefChem:1053476 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1053476?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1053476 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.