RefChem:331790
TL;DR: RefChem:331790 (CAS 134068-44-3) is a chemical compound with molecular formula C20H24ClN3O4 and molecular weight 405.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-[11-[2-(2-hydroxyethylamino)acetyl]-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate;hydrochloride
Also Known As: Carbamic acid, (10,11-dihydro-5-(((2-hydroxyethyl)amino)acetyl)-5H-dibenz(b,f)azepin-3-yl)-, methyl ester, monohydrochloride, 3-Carbmethoxyamino-5-(beta-oxyethylamino)acetyl-10,11-dihydro-5H-dibenz(b,f)azepine HCl, Methyl {5-[N-(2-hydroxyethyl)glycyl]-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl}carbamate--hydrogen chloride (1/1), methyl N-[11-[2-(2-hydroxyethylamino)acetyl]-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate hydrochloride, RefChem:331790
| Molecular Formula | C20H24ClN3O4 |
|---|---|
| Molecular Weight | 405.15 g/mol |
| LogP | 2.6319 |
| Topological Polar Surface Area | 90.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 405.14554 |
| Heavy Atoms | 28 |
| Complexity | 843.95056 |
Chemical Identifiers
| CAS Number | 134068-44-3 |
|---|---|
| SMILES | COC(=O)NC1=CC2=C(CCC3=CC=CC=C3N2C(=O)CNCCO)C=C1.Cl |
Product Overview
RefChem:331790 (CAS 134068-44-3), with molecular formula C20H24ClN3O4 and molecular weight 405.15 g/mol. IUPAC: methyl N-[11-[2-(2-hydroxyethylamino)acetyl]-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate;hydrochloride.
Chemical Property Profile of RefChem:331790
Property Insights of RefChem:331790
The XLogP value of 2.6319 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:331790. The TPSA of 90.9 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:331790. Following Lipinski's Rule of Five, RefChem:331790 has 3 hydrogen bond donor(s) and 5 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:331790?
The CAS number of RefChem:331790 is 134068-44-3.
What is the molecular formula of RefChem:331790?
The molecular formula of RefChem:331790 is C20H24ClN3O4.
What is the molecular weight of RefChem:331790?
The molecular weight of RefChem:331790 is 405.15 g/mol.
Where can I buy RefChem:331790?
You can request a quote for RefChem:331790 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:331790?
Yes, KEHONG BIO provides custom synthesis services for RefChem:331790 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.