RefChem:1071890
TL;DR: RefChem:1071890 (CAS 41148-45-2) is a chemical compound with molecular formula C22H33N3O7 and molecular weight 451.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(diethylamino)ethyl]-7,8-dimethoxy-1-methyl-5H-2,3-benzodiazepin-4-one;(E)-4,4-dihydroxybut-2-enoic acid
Also Known As: 4H-2,3-Benzodiazepin-4-one, 3,5-dihydro-3-(2-(diethylamino)ethyl)-7,8-dimethoxy-1-methyl-, (Z)-2-butenedioate (1:1), 3-(2-diethylaminoethyl)-7,8-dimethoxy-1-methyl-5H-2,3-benzodiazepin-4-one; (E)-4,4-dihydroxybut-2-enoic acid, RefChem:1071890
| Molecular Formula | C22H33N3O7 |
|---|---|
| Molecular Weight | 451.23 g/mol |
| LogP | 1.0922 |
| Topological Polar Surface Area | 132.13 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 451.23184 |
| Heavy Atoms | 32 |
| Complexity | 833.05853 |
Chemical Identifiers
| CAS Number | 41148-45-2 |
|---|---|
| SMILES | CCN(CC)CCN1C(=O)CC2=CC(=C(C=C2C(=N1)C)OC)OC.C(=C/C(=O)O)\C(O)O |
Product Overview
RefChem:1071890 (CAS 41148-45-2), with molecular formula C22H33N3O7 and molecular weight 451.23 g/mol. IUPAC: 3-[2-(diethylamino)ethyl]-7,8-dimethoxy-1-methyl-5H-2,3-benzodiazepin-4-one;(E)-4,4-dihydroxybut-2-enoic acid.
Chemical Property Profile of RefChem:1071890
Property Insights of RefChem:1071890
The XLogP value of 1.0922 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1071890. The TPSA of 132.13 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1071890. Following Lipinski's Rule of Five, RefChem:1071890 has 3 hydrogen bond donor(s) and 8 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:1071890?
The CAS number of RefChem:1071890 is 41148-45-2.
What is the molecular formula of RefChem:1071890?
The molecular formula of RefChem:1071890 is C22H33N3O7.
What is the molecular weight of RefChem:1071890?
The molecular weight of RefChem:1071890 is 451.23 g/mol.
Where can I buy RefChem:1071890?
You can request a quote for RefChem:1071890 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1071890?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1071890 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.