BRD-K35218009-001-09-4
TL;DR: BRD-K35218009-001-09-4 (CAS 836636-32-9) is a chemical compound with molecular formula C23H21N3O2S and molecular weight 403.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(furan-2-ylmethyl)-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-2-yl]sulfanylacetonitrile
Also Known As: BRD-K35218009-001-09-4, 2-((3-(furan-2-ylmethyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)thio)acetonitrile, {[3-(furan-2-ylmethyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl]sulfanyl}acetonitrile, 2-[3-(furan-2-ylmethyl)-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-2-yl]sulfanylacetonitrile
| Molecular Formula | C23H21N3O2S |
|---|---|
| Molecular Weight | 403.14 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 94.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 403.13544 |
| Heavy Atoms | 29 |
| Complexity | 789.0 |
Chemical Identifiers
| CAS Number | 836636-32-9 |
|---|---|
| SMILES | C1CCC2(C1)CC3=CC=CC=C3C4=C2C(=O)N(C(=N4)SCC#N)CC5=CC=CO5 |
| InChIKey | YIHTVSKKZWXLSH-UHFFFAOYSA-N |
Product Overview
BRD-K35218009-001-09-4 (CAS 836636-32-9), with molecular formula C23H21N3O2S and molecular weight 403.14 g/mol. IUPAC: 2-[3-(furan-2-ylmethyl)-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-2-yl]sulfanylacetonitrile.
Chemical Property Profile of BRD-K35218009-001-09-4
Property Insights of BRD-K35218009-001-09-4
The XLogP value of 4.5 indicates that BRD-K35218009-001-09-4 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.9 Ų falls within the moderate polarity range, balancing permeability and solubility for BRD-K35218009-001-09-4. Following Lipinski's Rule of Five, BRD-K35218009-001-09-4 has 0 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 BRD-K35218009-001-09-4?
The CAS number of BRD-K35218009-001-09-4 is 836636-32-9.
What is the molecular formula of BRD-K35218009-001-09-4?
The molecular formula of BRD-K35218009-001-09-4 is C23H21N3O2S.
What is the molecular weight of BRD-K35218009-001-09-4?
The molecular weight of BRD-K35218009-001-09-4 is 403.14 g/mol.
Where can I buy BRD-K35218009-001-09-4?
You can request a quote for BRD-K35218009-001-09-4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BRD-K35218009-001-09-4?
Yes, KEHONG BIO provides custom synthesis services for BRD-K35218009-001-09-4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.