RefChem:378174
TL;DR: RefChem:378174 (CAS 28740-81-0) is a chemical compound with molecular formula C14H17N3O and molecular weight 243.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(dimethylamino)methyl]-1,9-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-10-one
Also Known As: Pyrrolo(1,2,3-ef)(1,5)benzodiazepin-6(7H)-one, 4,5-dihydro-1-((dimethylamino)methyl)-, 4,5-Dihydro-1-(dimethylaminomethyl)pyrrolo(1,2,3-ef)(1,5)benzodiazepin-6(7H)-one, 7-[(dimethylamino)methyl]-3,4-dihydro[1,4]diazepino[3,2,1-hi]indol-2(1H)-one, 7-[ methyl]-3,4-dihydropyrrolo[1,2,3-ef]-1,5-benzodiazepin-2 -one, 7-[methyl]-3,4-dihydropyrrolo[1,2,3-ef]-1,5-benzodiazepin-2 -one
| Molecular Formula | C14H17N3O |
|---|---|
| Molecular Weight | 243.14 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 243.13716 |
| Heavy Atoms | 18 |
| Complexity | 331.0 |
Chemical Identifiers
| CAS Number | 28740-81-0 |
|---|---|
| SMILES | CN(C)CC1=CN2CCC(=O)NC3=CC=CC1=C32 |
| InChIKey | ONKWUZYEKDTIKR-UHFFFAOYSA-N |
Product Overview
RefChem:378174 (CAS 28740-81-0), with molecular formula C14H17N3O and molecular weight 243.14 g/mol. IUPAC: 3-[(dimethylamino)methyl]-1,9-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-10-one.
Chemical Property Profile of RefChem:378174
Property Insights of RefChem:378174
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:378174. With a topological polar surface area (TPSA) of 37.3 Ų, RefChem:378174 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:378174 has 1 hydrogen bond donor(s) and 2 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:378174?
The CAS number of RefChem:378174 is 28740-81-0.
What is the molecular formula of RefChem:378174?
The molecular formula of RefChem:378174 is C14H17N3O.
What is the molecular weight of RefChem:378174?
The molecular weight of RefChem:378174 is 243.14 g/mol.
Where can I buy RefChem:378174?
You can request a quote for RefChem:378174 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:378174?
Yes, KEHONG BIO provides custom synthesis services for RefChem:378174 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.