VU0049796-1
TL;DR: VU0049796-1 (CAS 593238-80-3) is a chemical compound with molecular formula C23H19ClN4O3S and molecular weight 466.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chloro-2-methylphenoxy)-N-[[2-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl]acetamide
Also Known As: VU0049796-1, 2-(4-chloro-2-methylphenoxy)-N-[[2-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl]acetamide, 1-[2-(4-CHLORO-2-METHYLPHENOXY)ACETYL]-3-(2-METHYL-4-{[1,3]OXAZOLO[4,5-B]PYRIDIN-2-YL}PHENYL)THIOUREA, 2-(4-chloro-2-methylphenoxy)-N-{[2-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl}acetamide
| Molecular Formula | C23H19ClN4O3S |
|---|---|
| Molecular Weight | 466.09 g/mol |
| LogP | 5.05204 |
| Topological Polar Surface Area | 89.28 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 466.08664 |
| Heavy Atoms | 32 |
| Complexity | 1288.8479 |
Chemical Identifiers
| CAS Number | 593238-80-3 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)C2=NC3=C(O2)C=CC=N3)NC(=S)NC(=O)COC4=C(C=C(C=C4)Cl)C |
Product Overview
VU0049796-1 (CAS 593238-80-3), with molecular formula C23H19ClN4O3S and molecular weight 466.09 g/mol. IUPAC: 2-(4-chloro-2-methylphenoxy)-N-[[2-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl]acetamide.
Chemical Property Profile of VU0049796-1
Property Insights of VU0049796-1
The XLogP value of 5.05204 indicates that VU0049796-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.28 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0049796-1. Following Lipinski's Rule of Five, VU0049796-1 has 2 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 VU0049796-1?
The CAS number of VU0049796-1 is 593238-80-3.
What is the molecular formula of VU0049796-1?
The molecular formula of VU0049796-1 is C23H19ClN4O3S.
What is the molecular weight of VU0049796-1?
The molecular weight of VU0049796-1 is 466.09 g/mol.
Where can I buy VU0049796-1?
You can request a quote for VU0049796-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0049796-1?
Yes, KEHONG BIO provides custom synthesis services for VU0049796-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.