BAS 00690703
TL;DR: BAS 00690703 (CAS 312513-66-9) is a chemical compound with molecular formula C25H23N3O2S and molecular weight 429.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(4-methoxyphenyl)-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-2-yl]sulfanylacetonitrile
Also Known As: BAS 00690703, AB00093419-01, AL-281/11337010, A1959/0082412, 2-[3-(4-methoxyphenyl)-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-2-yl]sulfanylacetonitrile
| Molecular Formula | C25H23N3O2S |
|---|---|
| Molecular Weight | 429.15 g/mol |
| LogP | 4.89168 |
| Topological Polar Surface Area | 67.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 429.1511 |
| Heavy Atoms | 31 |
| Complexity | 1235.1024 |
Chemical Identifiers
| CAS Number | 312513-66-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCC5)N=C2SCC#N |
Product Overview
BAS 00690703 (CAS 312513-66-9), with molecular formula C25H23N3O2S and molecular weight 429.15 g/mol. IUPAC: 2-[3-(4-methoxyphenyl)-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-2-yl]sulfanylacetonitrile.
Chemical Property Profile of BAS 00690703
Property Insights of BAS 00690703
The XLogP value of 4.89168 indicates that BAS 00690703 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.91 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00690703. Following Lipinski's Rule of Five, BAS 00690703 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 BAS 00690703?
The CAS number of BAS 00690703 is 312513-66-9.
What is the molecular formula of BAS 00690703?
The molecular formula of BAS 00690703 is C25H23N3O2S.
What is the molecular weight of BAS 00690703?
The molecular weight of BAS 00690703 is 429.15 g/mol.
Where can I buy BAS 00690703?
You can request a quote for BAS 00690703 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00690703?
Yes, KEHONG BIO provides custom synthesis services for BAS 00690703 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.