Cyanine3B carboxylic acid
TL;DR: Cyanine3B carboxylic acid (CAS 228272-69-3) is a chemical compound with molecular formula C31H32N2O6S and molecular weight 560.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
24-(carboxymethyl)-5,5,27,27-tetramethyl-16-oxa-20-aza-12-azoniaheptacyclo[15.11.0.03,15.04,12.06,11.020,28.021,26]octacosa-1(28),2,4(12),6(11),7,9,21(26),22,24-nonaene-8-sulfonate
Also Known As: Cy 3B, Cy3B carboxylic acid, starbld0026744, Cyanine3B carboxylic acid, 24-(carboxymethyl)-5,5,27,27-tetramethyl-16-oxa-20-aza-12-azoniaheptacyclo[15.11.0.03,15.04,12.06,11.020,28.021,26]octacosa-1(28),2,4(12),6(11),7,9,21(26),22,24-nonaene-8-sulfonate
| Molecular Formula | C31H32N2O6S |
|---|---|
| Molecular Weight | 560.20 g/mol |
| LogP | 4.1471 |
| Topological Polar Surface Area | 109.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 560.1981 |
| Heavy Atoms | 40 |
| Complexity | 1729.5978 |
Chemical Identifiers
| CAS Number | 228272-69-3 |
|---|---|
| SMILES | CC1(C2=C(C=CC(=C2)CC(=O)O)N3C1=C4C=C5C(CC[N+]6=C5C(C7=C6C=CC(=C7)S(=O)(=O)[O-])(C)C)OC4CC3)C |
Product Overview
Cyanine3B carboxylic acid (CAS 228272-69-3), with molecular formula C31H32N2O6S and molecular weight 560.20 g/mol. IUPAC: 24-(carboxymethyl)-5,5,27,27-tetramethyl-16-oxa-20-aza-12-azoniaheptacyclo[15.11.0.03,15.04,12.06,11.020,28.021,26]octacosa-1(28),2,4(12),6(11),7,9,21(26),22,24-nonaene-8-sulfonate.
Chemical Property Profile of Cyanine3B carboxylic acid
Property Insights of Cyanine3B carboxylic acid
The XLogP value of 4.1471 indicates that Cyanine3B carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.98 Ų falls within the moderate polarity range, balancing permeability and solubility for Cyanine3B carboxylic acid. Following Lipinski's Rule of Five, Cyanine3B carboxylic acid has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cyanine3B carboxylic acid?
The CAS number of Cyanine3B carboxylic acid is 228272-69-3.
What is the molecular formula of Cyanine3B carboxylic acid?
The molecular formula of Cyanine3B carboxylic acid is C31H32N2O6S.
What is the molecular weight of Cyanine3B carboxylic acid?
The molecular weight of Cyanine3B carboxylic acid is 560.20 g/mol.
Where can I buy Cyanine3B carboxylic acid?
You can request a quote for Cyanine3B carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyanine3B carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for Cyanine3B carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.