GLYCINE THYMOL BLUE
TL;DR: GLYCINE THYMOL BLUE (CAS 3810-63-7) is a chemical compound with molecular formula C33H40N2O9S and molecular weight 640.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[3-[3-[(carboxymethylamino)methyl]-4-hydroxy-2-methyl-5-propan-2-ylphenyl]-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]-2-hydroxy-6-methyl-3-propan-2-ylphenyl]methylamino]acetic acid
Also Known As: GLYCINE THYMOL BLUE, AZOCINE,OCTAHYDRO-1-(1,4-BENZODIOXAN-2-YLMETHYL), 2-[[5-[3-[3-[(Carboxymethylamino)methyl]-4-hydroxy-2-methyl-5-propan-2-ylphenyl]-1,1-dioxo-2,1lambda6-benzoxathiol-3-yl]-2-hydroxy-6-methyl-3-propan-2-ylphenyl]methylamino]acetic acid, N,N'-(3H-2,1-Benzoxathiol-3-ylidenebis((6-hydroxy-5-isopropyl-2-methylphen-3,1-ylene)methylene))bisglycine S,S-dioxide, 2,2'-[(1,1-dioxido-3h-2,1-benzoxathiole-3,3-diyl)bis{[6-hydroxy-2-methyl-5-(propan-2-yl)benzene-3,1-diyl]methanediylimino}]diacetic acid(non-preferred name)
| Molecular Formula | C33H40N2O9S |
|---|---|
| Molecular Weight | 640.25 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 191.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 12 |
| Exact Mass | 640.2454 |
| Heavy Atoms | 45 |
| Complexity | 1080.0 |
Chemical Identifiers
| CAS Number | 3810-63-7 |
|---|---|
| SMILES | CC1=C(C=C(C(=C1CNCC(=O)O)O)C(C)C)C2(C3=CC=CC=C3S(=O)(=O)O2)C4=C(C(=C(C(=C4)C(C)C)O)CNCC(=O)O)C |
| InChIKey | SHYNCDVGSJTRCP-UHFFFAOYSA-N |
Product Overview
GLYCINE THYMOL BLUE (CAS 3810-63-7), with molecular formula C33H40N2O9S and molecular weight 640.25 g/mol. IUPAC: 2-[[5-[3-[3-[(carboxymethylamino)methyl]-4-hydroxy-2-methyl-5-propan-2-ylphenyl]-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]-2-hydroxy-6-methyl-3-propan-2-ylphenyl]methylamino]acetic acid.
Chemical Property Profile of GLYCINE THYMOL BLUE
Property Insights of GLYCINE THYMOL BLUE
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for GLYCINE THYMOL BLUE. The TPSA of 191.0 Ų indicates high polarity, suggesting GLYCINE THYMOL BLUE may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, GLYCINE THYMOL BLUE has 6 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of GLYCINE THYMOL BLUE?
The CAS number of GLYCINE THYMOL BLUE is 3810-63-7.
What is the molecular formula of GLYCINE THYMOL BLUE?
The molecular formula of GLYCINE THYMOL BLUE is C33H40N2O9S.
What is the molecular weight of GLYCINE THYMOL BLUE?
The molecular weight of GLYCINE THYMOL BLUE is 640.25 g/mol.
Where can I buy GLYCINE THYMOL BLUE?
You can request a quote for GLYCINE THYMOL BLUE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for GLYCINE THYMOL BLUE?
Yes, KEHONG BIO provides custom synthesis services for GLYCINE THYMOL BLUE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.