RefChem:1073489
TL;DR: RefChem:1073489 (CAS 32047-68-0) is a chemical compound with molecular formula C18H24Cl3N3 and molecular weight 387.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(9-chloro-6,11-dihydro-5H-benzo[b][1,4]benzodiazepin-5-ium-5-yl)propyl-dimethylazanium dichloride
Also Known As: 3-Chloro-10-(3-(dimethylamino)propyl)-5H-dibenzo(b,e)(1,4)diazepine dihydrochloride, 5H-Dibenzo(b,e)(1,4)diazepine, 10,11-dihydro-3-chloro-10-(3-(dimethylamino)propyl)-, dihydrochloride, 3-(9-chloro-6,11-dihydro-5H-benzo[b][1,4]benzodiazepin-5-ium-5-yl)propyl-dimethylazanium dichloride, 5H-DIBENZO(b,e)(1,4)DIAZEPINE, 10,11-DIHYDRO-3-CHLORO-10-(3-(DIMETHYLAMINO)PROPY, 5H-Dibenzo[b,e][1,4]diazepine, 3-chloro-10-[3-(dimethylamino)propyl]-10,11-dihydro-, dihydrochloride
| Molecular Formula | C18H24Cl3N3 |
|---|---|
| Molecular Weight | 387.10 g/mol |
| LogP | -4.34 |
| Topological Polar Surface Area | 20.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 387.10358 |
| Heavy Atoms | 24 |
| Complexity | 349.0 |
Chemical Identifiers
| CAS Number | 32047-68-0 |
|---|---|
| SMILES | C[NH+](C)CCC[NH+]1CC2=C(C=C(C=C2)Cl)NC3=CC=CC=C31.[Cl-].[Cl-] |
| InChIKey | KZFFWZXBTUJVSG-UHFFFAOYSA-N |
Product Overview
RefChem:1073489 (CAS 32047-68-0), with molecular formula C18H24Cl3N3 and molecular weight 387.10 g/mol. IUPAC: 3-(9-chloro-6,11-dihydro-5H-benzo[b][1,4]benzodiazepin-5-ium-5-yl)propyl-dimethylazanium dichloride.
Chemical Property Profile of RefChem:1073489
Property Insights of RefChem:1073489
The XLogP value of -4.34 indicates that RefChem:1073489 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 20.9 Ų, RefChem:1073489 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1073489 has 3 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:1073489?
The CAS number of RefChem:1073489 is 32047-68-0.
What is the molecular formula of RefChem:1073489?
The molecular formula of RefChem:1073489 is C18H24Cl3N3.
What is the molecular weight of RefChem:1073489?
The molecular weight of RefChem:1073489 is 387.10 g/mol.
Where can I buy RefChem:1073489?
You can request a quote for RefChem:1073489 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1073489?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1073489 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.