甲基藍
TL;DR: 甲基藍 (CAS 28983-56-4) is a chemical compound with molecular formula C37H29N3O9S3 and molecular weight 755.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
甲基藍
4-[4-[bis[4-(4-sulfoanilino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]azaniumylbenzenesulfonate
Also Known As: Cotton blue, Ink Blue, Helvetia Blue, Soluble Blue, Methyl Blue
| Molecular Formula | C37H29N3O9S3 |
|---|---|
| Molecular Weight | 755.11 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 225.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 10 |
| Exact Mass | 755.10657 |
| Heavy Atoms | 52 |
| Complexity | 1570.0 |
Chemical Identifiers
| CAS Number | 28983-56-4 |
|---|---|
| SMILES | C1=CC(=[NH+]C2=CC=C(C=C2)S(=O)(=O)[O-])C=CC1=C(C3=CC=C(C=C3)NC4=CC=C(C=C4)S(=O)(=O)O)C5=CC=C(C=C5)NC6=CC=C(C=C6)S(=O)(=O)O |
| InChIKey | RFKJHQXSLBUONF-UHFFFAOYSA-N |
Product Overview
甲基藍 (CAS 28983-56-4), with molecular formula C37H29N3O9S3 and molecular weight 755.11 g/mol. IUPAC: 4-[4-[bis[4-(4-sulfoanilino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]azaniumylbenzenesulfonate.
Chemical Property Profile of 甲基藍
Property Insights of 甲基藍
The XLogP value of 5.7 indicates that 甲基藍 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 225.0 Ų indicates high polarity, suggesting 甲基藍 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 甲基藍 has 5 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 甲基藍?
The CAS number of 甲基藍 is 28983-56-4.
What is the molecular formula of 甲基藍?
The molecular formula of 甲基藍 is C37H29N3O9S3.
What is the molecular weight of 甲基藍?
The molecular weight of 甲基藍 is 755.11 g/mol.
Where can I buy 甲基藍?
You can request a quote for 甲基藍 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 甲基藍?
Yes, KEHONG BIO provides custom synthesis services for 甲基藍 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.