RefChem:147072
TL;DR: RefChem:147072 (CAS 42352-92-1) is a chemical compound with molecular formula C31H37N3O6S2 and molecular weight 611.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[4-(diethylamino)pyridin-1-ium-1-yl]-(4,4-dipropylpyridin-1-ium-1-ylidene)methyl]naphthalene-2,7-disulfonate
Also Known As: EINECS 255-768-1, Hydrogen (4-(4-(diethylamino)-alpha-(2,7-disulphonato-1-naphthyl)benzylidene)cyclohexa-2,5-dien-1-ylidene)diethylammonium, 1-[[4-(diethylamino)pyridin-1-ium-1-yl]-(4,4-dipropylpyridin-1-ium-1-ylidene)methyl]naphthalene-2,7-disulfonate, 1-{[4-(Diethylamino)pyridin-1-ium-1-yl](4,4-dipropyl-1,4-dihydropyridin-1-ium-1-ylidene)methyl}naphthalene-2,7-disulfonate, 255-768-1
| Molecular Formula | C31H37N3O6S2 |
|---|---|
| Molecular Weight | 611.21 g/mol |
| LogP | 4.7167 |
| Topological Polar Surface Area | 124.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 611.2124 |
| Heavy Atoms | 42 |
| Complexity | 1743.8193 |
Chemical Identifiers
| CAS Number | 42352-92-1 |
|---|---|
| SMILES | CCCC1(C=C[N+](=C(C2=C(C=CC3=C2C=C(C=C3)S(=O)(=O)[O-])S(=O)(=O)[O-])[N+]4=CC=C(C=C4)N(CC)CC)C=C1)CCC |
Product Overview
RefChem:147072 (CAS 42352-92-1), with molecular formula C31H37N3O6S2 and molecular weight 611.21 g/mol. IUPAC: 1-[[4-(diethylamino)pyridin-1-ium-1-yl]-(4,4-dipropylpyridin-1-ium-1-ylidene)methyl]naphthalene-2,7-disulfonate.
Chemical Property Profile of RefChem:147072
Property Insights of RefChem:147072
The XLogP value of 4.7167 indicates that RefChem:147072 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 124.53 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:147072. Following Lipinski's Rule of Five, RefChem:147072 has 0 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 RefChem:147072?
The CAS number of RefChem:147072 is 42352-92-1.
What is the molecular formula of RefChem:147072?
The molecular formula of RefChem:147072 is C31H37N3O6S2.
What is the molecular weight of RefChem:147072?
The molecular weight of RefChem:147072 is 611.21 g/mol.
Where can I buy RefChem:147072?
You can request a quote for RefChem:147072 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:147072?
Yes, KEHONG BIO provides custom synthesis services for RefChem:147072 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.