TPMPA hydrate
TL;DR: TPMPA hydrate (CAS 18249-12-2) is a chemical compound with molecular formula C27H26N2O6S2 and molecular weight 538.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[4-(dimethylamino)phenyl]-(4-dimethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)methyl]-7-sulfonaphthalene-2-sulfonate
Also Known As: TPMPA hydrate, 4-[(4-dimethylaminophenyl)-(4-dimethylazaniumylidene-1-cyclohexa-2,5-dienylidene)methyl]-7-sulfo-naphthalene-2-sulfonate, 4-[[4-(Dimethylamino)phenyl]-(4-dimethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)methyl]-7-sulfonaphthalene-2-sulfonate, Hydrogen (4-((4-(dimethylamino)phenyl)(3,6-disulphonato-1-naphthyl)methylene)cyclohexa-2,5-dien-1-ylidene)dimethylammonium, hydrogen 4-{[4-(dimethylamino)phenyl][4-(dimethyliminio)cyclohexa-2,5-dien-1-ylidene]methyl}naphthalene-2,7-disulfonate
| Molecular Formula | C27H26N2O6S2 |
|---|---|
| Molecular Weight | 538.12 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 135.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 538.1232 |
| Heavy Atoms | 37 |
| Complexity | 1120.0 |
Chemical Identifiers
| CAS Number | 18249-12-2 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=C4C=CC(=CC4=CC(=C3)S(=O)(=O)[O-])S(=O)(=O)O |
| InChIKey | QTAWOJMFARURQW-UHFFFAOYSA-N |
Product Overview
TPMPA hydrate (CAS 18249-12-2), with molecular formula C27H26N2O6S2 and molecular weight 538.12 g/mol. IUPAC: 4-[[4-(dimethylamino)phenyl]-(4-dimethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)methyl]-7-sulfonaphthalene-2-sulfonate.
Chemical Property Profile of TPMPA hydrate
Property Insights of TPMPA hydrate
The XLogP value of 3.5 indicates that TPMPA hydrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for TPMPA hydrate. Following Lipinski's Rule of Five, TPMPA hydrate has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of TPMPA hydrate?
The CAS number of TPMPA hydrate is 18249-12-2.
What is the molecular formula of TPMPA hydrate?
The molecular formula of TPMPA hydrate is C27H26N2O6S2.
What is the molecular weight of TPMPA hydrate?
The molecular weight of TPMPA hydrate is 538.12 g/mol.
Where can I buy TPMPA hydrate?
You can request a quote for TPMPA hydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TPMPA hydrate?
Yes, KEHONG BIO provides custom synthesis services for TPMPA hydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.