新亚甲蓝
TL;DR: 新亚甲蓝 (CAS 1934-16-3) is a chemical compound with molecular formula C18H22ClN3S and molecular weight 347.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
新亚甲蓝
ethyl-[7-(ethylamino)-2,8-dimethylphenothiazin-3-ylidene]azanium chloride
Also Known As: New methylene blue, Basic blue 24, New Methylene Blue N, Methylene Blue NN, Methylene Blue N
| Molecular Formula | C18H22ClN3S |
|---|---|
| Molecular Weight | 347.12 g/mol |
| LogP | -0.55 |
| Topological Polar Surface Area | 63.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 347.12228 |
| Heavy Atoms | 23 |
| Complexity | 516.0 |
Chemical Identifiers
| CAS Number | 1934-16-3 |
|---|---|
| SMILES | CCNC1=CC2=C(C=C1C)N=C3C=C(C(=[NH+]CC)C=C3S2)C.[Cl-] |
| InChIKey | SQHOAFZGYFNDQX-UHFFFAOYSA-N |
Product Overview
新亚甲蓝 (CAS 1934-16-3), with molecular formula C18H22ClN3S and molecular weight 347.12 g/mol. IUPAC: ethyl-[7-(ethylamino)-2,8-dimethylphenothiazin-3-ylidene]azanium chloride.
Chemical Property Profile of 新亚甲蓝
Property Insights of 新亚甲蓝
The XLogP value of -0.55 indicates that 新亚甲蓝 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 63.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 新亚甲蓝. Following Lipinski's Rule of Five, 新亚甲蓝 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 新亚甲蓝?
The CAS number of 新亚甲蓝 is 1934-16-3.
What is the molecular formula of 新亚甲蓝?
The molecular formula of 新亚甲蓝 is C18H22ClN3S.
What is the molecular weight of 新亚甲蓝?
The molecular weight of 新亚甲蓝 is 347.12 g/mol.
Where can I buy 新亚甲蓝?
You can request a quote for 新亚甲蓝 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 新亚甲蓝?
Yes, KEHONG BIO provides custom synthesis services for 新亚甲蓝 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.