VU0508098-1
TL;DR: VU0508098-1 (CAS 899353-98-1) is a chemical compound with molecular formula C20H17ClN2O4S and molecular weight 416.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-chloro-2-(2,3,4-trimethoxyphenyl)-1,5-dihydrochromeno[2,3-d]pyrimidine-4-thione
Also Known As: VU0508098-1, F3062-0035, 7-chloro-2-(2,3,4-trimethoxyphenyl)-1,5-dihydrochromeno[2,3-d]pyrimidine-4-thione, 7-chloro-2-(2,3,4-trimethoxyphenyl)-3H,4H,5H-chromeno[2,3-d]pyrimidine-4-thione, 7-chloro-2-(2,3,4-trimethoxyphenyl)-3H-chromeno[2,3-d]pyrimidine-4(5H)-thione
| Molecular Formula | C20H17ClN2O4S |
|---|---|
| Molecular Weight | 416.06 g/mol |
| LogP | 5.18189 |
| Topological Polar Surface Area | 65.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 416.05975 |
| Heavy Atoms | 28 |
| Complexity | 1129.9191 |
Chemical Identifiers
| CAS Number | 899353-98-1 |
|---|---|
| SMILES | COC1=C(C(=C(C=C1)C2=NC(=S)C3=C(N2)OC4=C(C3)C=C(C=C4)Cl)OC)OC |
Product Overview
VU0508098-1 (CAS 899353-98-1), with molecular formula C20H17ClN2O4S and molecular weight 416.06 g/mol. IUPAC: 7-chloro-2-(2,3,4-trimethoxyphenyl)-1,5-dihydrochromeno[2,3-d]pyrimidine-4-thione.
Chemical Property Profile of VU0508098-1
Property Insights of VU0508098-1
The XLogP value of 5.18189 indicates that VU0508098-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.6 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0508098-1. Following Lipinski's Rule of Five, VU0508098-1 has 1 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 VU0508098-1?
The CAS number of VU0508098-1 is 899353-98-1.
What is the molecular formula of VU0508098-1?
The molecular formula of VU0508098-1 is C20H17ClN2O4S.
What is the molecular weight of VU0508098-1?
The molecular weight of VU0508098-1 is 416.06 g/mol.
Where can I buy VU0508098-1?
You can request a quote for VU0508098-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0508098-1?
Yes, KEHONG BIO provides custom synthesis services for VU0508098-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.