RefChem:236258
TL;DR: RefChem:236258 (CAS 4466-05-1) is a chemical compound with molecular formula C17H20ClN3O and molecular weight 317.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl-[3-(6-oxo-11H-benzo[b][1,4]benzodiazepin-5-yl)propyl]azanium chloride
Also Known As: 10-(3-(Methylamino)propyl)-5,10-dihydro-11H-dibenzo(b,e)(1,4)diazepin-11-one hydrochloride, 11H-Dibenzo(b,e)(1,4)diazepin-11-one, 5,10-dihydro-10-(3-(methylamino)propyl)-, monohydrochloride, 11H-DIBENZO(b,e)(1,4)DIAZEPIN-11-ONE, 5,10-DIHYDRO-10-(3-(METHYLAMINO)PROPYL)-,, methyl-[3-(6-oxo-11H-benzo[b][1,4]benzodiazepin-5-yl)propyl]azanium chloride, methyl-[3-(6-oxo-11H-benzo[b][1,4]benzodiazepin-5-yl)propyl]azaniumchloride
| Molecular Formula | C17H20ClN3O |
|---|---|
| Molecular Weight | 317.13 g/mol |
| LogP | -1.02 |
| Topological Polar Surface Area | 49.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 317.1295 |
| Heavy Atoms | 22 |
| Complexity | 360.0 |
Chemical Identifiers
| CAS Number | 4466-05-1 |
|---|---|
| SMILES | C[NH2+]CCCN1C2=CC=CC=C2NC3=CC=CC=C3C1=O.[Cl-] |
| InChIKey | DNSAWKLVGYUVMD-UHFFFAOYSA-N |
Product Overview
RefChem:236258 (CAS 4466-05-1), with molecular formula C17H20ClN3O and molecular weight 317.13 g/mol. IUPAC: methyl-[3-(6-oxo-11H-benzo[b][1,4]benzodiazepin-5-yl)propyl]azanium chloride.
Chemical Property Profile of RefChem:236258
Property Insights of RefChem:236258
The XLogP value of -1.02 indicates that RefChem:236258 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 49.0 Ų, RefChem:236258 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:236258 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:236258?
The CAS number of RefChem:236258 is 4466-05-1.
What is the molecular formula of RefChem:236258?
The molecular formula of RefChem:236258 is C17H20ClN3O.
What is the molecular weight of RefChem:236258?
The molecular weight of RefChem:236258 is 317.13 g/mol.
Where can I buy RefChem:236258?
You can request a quote for RefChem:236258 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:236258?
Yes, KEHONG BIO provides custom synthesis services for RefChem:236258 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.