VU0508542-1
TL;DR: VU0508542-1 (CAS 676239-59-1) is a chemical compound with molecular formula C19H16ClN3O3S and molecular weight 401.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-chloro-2-(4-methoxyphenyl)spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-1,3-thiazolidine]-2'-one
Also Known As: VU0508542-1, 9-chloro-2-(4-methoxyphenyl)-1,10b-dihydro-2'H-spiro[pyrazolo[1,5-c][1,3]benzoxazine-5,4'-[1,3]thiazolidin]-2'-one, F3077-1631, 12'-chloro-4'-(4-methoxyphenyl)-8'-oxa-5',6'-diazaspiro[1,4-thiazolidine-3,7'-tricyclo[7.4.0.0^{2,6}]tridecane]-1'(9'),4',10',12'-tetraen-5-one, 9-chloro-2-(4-methoxyphenyl)-1,10b-dihydrospiro[benzo[e]pyrazolo[1,5-c][1,3]oxazine-5,4'-thiazolidin]-2'-one
| Molecular Formula | C19H16ClN3O3S |
|---|---|
| Molecular Weight | 401.06 g/mol |
| LogP | 4.0023 |
| Topological Polar Surface Area | 63.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 401.0601 |
| Heavy Atoms | 27 |
| Complexity | 965.1723 |
Chemical Identifiers
| CAS Number | 676239-59-1 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=NN3C(C2)C4=C(C=CC(=C4)Cl)OC35CSC(=O)N5 |
Product Overview
VU0508542-1 (CAS 676239-59-1), with molecular formula C19H16ClN3O3S and molecular weight 401.06 g/mol. IUPAC: 9-chloro-2-(4-methoxyphenyl)spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-1,3-thiazolidine]-2'-one.
Chemical Property Profile of VU0508542-1
Property Insights of VU0508542-1
The XLogP value of 4.0023 indicates that VU0508542-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.16 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0508542-1. Following Lipinski's Rule of Five, VU0508542-1 has 1 hydrogen bond donor(s) and 6 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 VU0508542-1?
The CAS number of VU0508542-1 is 676239-59-1.
What is the molecular formula of VU0508542-1?
The molecular formula of VU0508542-1 is C19H16ClN3O3S.
What is the molecular weight of VU0508542-1?
The molecular weight of VU0508542-1 is 401.06 g/mol.
Where can I buy VU0508542-1?
You can request a quote for VU0508542-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0508542-1?
Yes, KEHONG BIO provides custom synthesis services for VU0508542-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.