RefChem:378238
TL;DR: RefChem:378238 (CAS 113597-47-0) is a chemical compound with molecular formula C16H17N3O2 and molecular weight 283.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2,4-dimethyl-3,10-dihydropyrrolo[3,2-i][1,5]benzodiazepine-9-carboxylate
Also Known As: Ethyl 2,4-dimethyl-3H-(1,4)diazepine(2,3-g)indole-9-carbonate, Pyrrolo(2,3-g)-1,5-benzodiazepine-9-carboxylic acid, 3,10-dihydro-2,4-dimethyl-, ethyl ester, Ethyl 2,4-dimethyl-3,10-dihydro[1,4]diazepino[2,3-g]indole-9-carboxylate, BRN 5576894, RefChem:378238
| Molecular Formula | C16H17N3O2 |
|---|---|
| Molecular Weight | 283.13 g/mol |
| LogP | 3.9331 |
| Topological Polar Surface Area | 66.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 283.13208 |
| Heavy Atoms | 21 |
| Complexity | 784.16113 |
Chemical Identifiers
| CAS Number | 113597-47-0 |
|---|---|
| SMILES | CCOC(=O)C1=CC2=C(N1)C3=C(C=C2)N=C(CC(=N3)C)C |
Product Overview
RefChem:378238 (CAS 113597-47-0), with molecular formula C16H17N3O2 and molecular weight 283.13 g/mol. IUPAC: ethyl 2,4-dimethyl-3,10-dihydropyrrolo[3,2-i][1,5]benzodiazepine-9-carboxylate.
Chemical Property Profile of RefChem:378238
Property Insights of RefChem:378238
The XLogP value of 3.9331 indicates that RefChem:378238 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.81 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:378238. Following Lipinski's Rule of Five, RefChem:378238 has 1 hydrogen bond donor(s) and 4 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:378238?
The CAS number of RefChem:378238 is 113597-47-0.
What is the molecular formula of RefChem:378238?
The molecular formula of RefChem:378238 is C16H17N3O2.
What is the molecular weight of RefChem:378238?
The molecular weight of RefChem:378238 is 283.13 g/mol.
Where can I buy RefChem:378238?
You can request a quote for RefChem:378238 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:378238?
Yes, KEHONG BIO provides custom synthesis services for RefChem:378238 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.