ChemDiv1_013189
TL;DR: ChemDiv1_013189 (CAS 443354-46-9) is a chemical compound with molecular formula C28H27N5O4S and molecular weight 529.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(furan-2-ylmethyl)-2-[3-[3-(1H-indol-3-yl)propanoylamino]-4-oxoquinazolin-2-yl]sulfanylbutanamide
Also Known As: ChemDiv1_013189, F0916-4611, N-[(furan-2-yl)methyl]-2-({3-[3-(1H-indol-3-yl)propanamido]-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)butanamide, 2-((3-(3-(1H-indol-3-yl)propanamido)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)-N-(furan-2-ylmethyl)butanamide, N-(furan-2-ylmethyl)-2-[3-[3-(1H-indol-3-yl)propanoylamino]-4-oxoquinazolin-2-yl]sulfanylbutanamide
| Molecular Formula | C28H27N5O4S |
|---|---|
| Molecular Weight | 529.18 g/mol |
| LogP | 4.3608 |
| Topological Polar Surface Area | 122.02 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 529.1784 |
| Heavy Atoms | 38 |
| Complexity | 1640.405 |
Chemical Identifiers
| CAS Number | 443354-46-9 |
|---|---|
| SMILES | CCC(C(=O)NCC1=CC=CO1)SC2=NC3=CC=CC=C3C(=O)N2NC(=O)CCC4=CNC5=CC=CC=C54 |
Product Overview
ChemDiv1_013189 (CAS 443354-46-9), with molecular formula C28H27N5O4S and molecular weight 529.18 g/mol. IUPAC: N-(furan-2-ylmethyl)-2-[3-[3-(1H-indol-3-yl)propanoylamino]-4-oxoquinazolin-2-yl]sulfanylbutanamide.
Chemical Property Profile of ChemDiv1_013189
Property Insights of ChemDiv1_013189
The XLogP value of 4.3608 indicates that ChemDiv1_013189 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.02 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_013189. Following Lipinski's Rule of Five, ChemDiv1_013189 has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_013189?
The CAS number of ChemDiv1_013189 is 443354-46-9.
What is the molecular formula of ChemDiv1_013189?
The molecular formula of ChemDiv1_013189 is C28H27N5O4S.
What is the molecular weight of ChemDiv1_013189?
The molecular weight of ChemDiv1_013189 is 529.18 g/mol.
Where can I buy ChemDiv1_013189?
You can request a quote for ChemDiv1_013189 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_013189?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_013189 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.