新亚甲蓝
TL;DR: 新亚甲蓝 (CAS 6586-05-6) is a chemical compound with molecular formula C18H22Cl3N3SZn and molecular weight 480.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
新亚甲蓝
dichlorozinc;ethyl-[7-(ethylamino)-2,8-dimethylphenothiazin-3-ylidene]azanium;chloride
Also Known As: Basic blue 24, Methylene Blue N, New Methylene Blue N, New methylene blue, Methylene blue NNX
| Molecular Formula | C18H22Cl3N3SZn |
|---|---|
| Molecular Weight | 480.99 g/mol |
| LogP | 0.83144 |
| Topological Polar Surface Area | 38.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 480.98914 |
| Heavy Atoms | 26 |
| Complexity | 898.8489 |
Chemical Identifiers
| CAS Number | 6586-05-6 |
|---|---|
| SMILES | CCNC1=CC2=C(C=C1C)N=C3C=C(C(=[NH+]CC)C=C3S2)C.[Cl-].Cl[Zn]Cl |
Product Overview
新亚甲蓝 (CAS 6586-05-6), with molecular formula C18H22Cl3N3SZn and molecular weight 480.99 g/mol. IUPAC: dichlorozinc;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 0.83144 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 新亚甲蓝. With a topological polar surface area (TPSA) of 38.89 Ų, 新亚甲蓝 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 新亚甲蓝 has 2 hydrogen bond donor(s) and 3 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 6586-05-6.
What is the molecular formula of 新亚甲蓝?
The molecular formula of 新亚甲蓝 is C18H22Cl3N3SZn.
What is the molecular weight of 新亚甲蓝?
The molecular weight of 新亚甲蓝 is 480.99 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.