ChemDiv3_012457
TL;DR: ChemDiv3_012457 (CAS 878053-91-9) is a chemical compound with molecular formula C21H23N3O4S and molecular weight 413.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(furan-2-ylmethyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfanylacetamide
Also Known As: ChemDiv3_012457, BRD-K51118008-001-01-3, F2016-0351, N-[(furan-2-yl)methyl]-2-({1-[2-(morpholin-4-yl)-2-oxoethyl]-1H-indol-3-yl}sulfanyl)acetamide, N-(furan-2-ylmethyl)-2-((1-(2-morpholino-2-oxoethyl)-1H-indol-3-yl)thio)acetamide
| Molecular Formula | C21H23N3O4S |
|---|---|
| Molecular Weight | 413.14 g/mol |
| LogP | 2.5016 |
| Topological Polar Surface Area | 76.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 413.14093 |
| Heavy Atoms | 29 |
| Complexity | 977.1508 |
Chemical Identifiers
| CAS Number | 878053-91-9 |
|---|---|
| SMILES | C1COCCN1C(=O)CN2C=C(C3=CC=CC=C32)SCC(=O)NCC4=CC=CO4 |
Product Overview
ChemDiv3_012457 (CAS 878053-91-9), with molecular formula C21H23N3O4S and molecular weight 413.14 g/mol. IUPAC: N-(furan-2-ylmethyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfanylacetamide.
Chemical Property Profile of ChemDiv3_012457
Property Insights of ChemDiv3_012457
The XLogP value of 2.5016 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_012457. The TPSA of 76.71 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_012457. Following Lipinski's Rule of Five, ChemDiv3_012457 has 1 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 ChemDiv3_012457?
The CAS number of ChemDiv3_012457 is 878053-91-9.
What is the molecular formula of ChemDiv3_012457?
The molecular formula of ChemDiv3_012457 is C21H23N3O4S.
What is the molecular weight of ChemDiv3_012457?
The molecular weight of ChemDiv3_012457 is 413.14 g/mol.
Where can I buy ChemDiv3_012457?
You can request a quote for ChemDiv3_012457 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_012457?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_012457 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.