GD2VR8TE0W
TL;DR: GD2VR8TE0W (CAS 243135-72-0) is a chemical compound with molecular formula C22H23BrClN5O7 and molecular weight 583.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-3-(3-bromo-5-chloro-2-hydroxyphenyl)-3-[[2-[[3-hydroxy-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]benzoyl]amino]acetyl]amino]propanoic acid
Also Known As: US10577330, Comparison Compound C1, N-(3-Hydroxy-5-((1,4,5,6-tetrahydro-5-hydroxy-2-pyrimidinyl)amino)benzoyl)glycyl-3-(3-bromo-5-chloro-2-hydroxyphenyl)-beta-alanine, (3S)-, beta-Alanine, N-(3-hydroxy-5-((1,4,5,6-tetrahydro-5-hydroxy-2-pyrimidinyl)amino)benzoyl)glycyl-3-(3-bromo-5-chloro-2-hydroxyphenyl)-, (3S)-, (3S)-3-(3-bromo-5-chloro-2-hydroxyphenyl)-3-(2-(3-hydroxy-5-(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-ylamino)benzamido)acetamido)propanoic acid, .BETA.-ALANINE, N-(3-HYDROXY-5-((1,4,5,6-TETRAHYDRO-5-HYDROXY-2-PYRIMIDINYL)AMINO)BENZOYL)GLYCYL-3-(3-BROMO-5-CHLORO-2-HYDROXYPHENYL)-, (3S)-
| Molecular Formula | C22H23BrClN5O7 |
|---|---|
| Molecular Weight | 583.05 g/mol |
| LogP | 1.3077 |
| Topological Polar Surface Area | 192.61 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 583.04694 |
| Heavy Atoms | 36 |
| Complexity | 1209.5497 |
Chemical Identifiers
| CAS Number | 243135-72-0 |
|---|---|
| SMILES | C1C(CN=C(N1)NC2=CC(=CC(=C2)C(=O)NCC(=O)N[C@@H](CC(=O)O)C3=C(C(=CC(=C3)Cl)Br)O)O)O |
Product Overview
GD2VR8TE0W (CAS 243135-72-0), with molecular formula C22H23BrClN5O7 and molecular weight 583.05 g/mol. IUPAC: (3S)-3-(3-bromo-5-chloro-2-hydroxyphenyl)-3-[[2-[[3-hydroxy-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]benzoyl]amino]acetyl]amino]propanoic acid.
Chemical Property Profile of GD2VR8TE0W
Property Insights of GD2VR8TE0W
The XLogP value of 1.3077 suggests moderate lipophilicity, balancing water solubility and membrane permeability for GD2VR8TE0W. The TPSA of 192.61 Ų indicates high polarity, suggesting GD2VR8TE0W may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, GD2VR8TE0W has 8 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of GD2VR8TE0W?
The CAS number of GD2VR8TE0W is 243135-72-0.
What is the molecular formula of GD2VR8TE0W?
The molecular formula of GD2VR8TE0W is C22H23BrClN5O7.
What is the molecular weight of GD2VR8TE0W?
The molecular weight of GD2VR8TE0W is 583.05 g/mol.
Where can I buy GD2VR8TE0W?
You can request a quote for GD2VR8TE0W directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for GD2VR8TE0W?
Yes, KEHONG BIO provides custom synthesis services for GD2VR8TE0W and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.