1,3-Di(propan-2-yl)urea,sulfur trioxide
TL;DR: 1,3-Di(propan-2-yl)urea,sulfur trioxide (CAS 6417-46-5) is a chemical compound with molecular formula C40H35N3O3S and molecular weight 637.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[4-[bis[4-(3-methylanilino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]amino]-2-methylbenzenesulfonic acid
Also Known As: C.I. Pigment Blue 56, PIGMENT BLUE 56, 1,3-di(propan-2-yl)urea,sulfur trioxide, 4-{[4-(bis{4-[(3-methylphenyl)amino]phenyl}methylidene)cyclohexa-2,5-dien-1-ylidene]amino}-2-methylbenzenesulfonic acid, Benzenesulfonic acid, 2-methyl-4-[[4-[[4-[(3-methylphenyl) amino]phenyl][4-[(3-methylphenyl)imino ]-2,5-cyclohexadien-1-ylidene]methyl]phenyl]amino ]-
| Molecular Formula | C40H35N3O3S |
|---|---|
| Molecular Weight | 637.24 g/mol |
| LogP | 9.3 |
| Topological Polar Surface Area | 99.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 637.2399 |
| Heavy Atoms | 47 |
| Complexity | 1200.0 |
Chemical Identifiers
| CAS Number | 6417-46-5 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC2=CC=C(C=C2)C(=C3C=CC(=NC4=CC(=C(C=C4)S(=O)(=O)O)C)C=C3)C5=CC=C(C=C5)NC6=CC=CC(=C6)C |
| InChIKey | TXAUDDRTMUBUAL-UHFFFAOYSA-N |
Product Overview
1,3-Di(propan-2-yl)urea,sulfur trioxide (CAS 6417-46-5), with molecular formula C40H35N3O3S and molecular weight 637.24 g/mol. IUPAC: 4-[[4-[bis[4-(3-methylanilino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]amino]-2-methylbenzenesulfonic acid.
Chemical Property Profile of 1,3-Di(propan-2-yl)urea,sulfur trioxide
Property Insights of 1,3-Di(propan-2-yl)urea,sulfur trioxide
The XLogP value of 9.3 indicates that 1,3-Di(propan-2-yl)urea,sulfur trioxide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Di(propan-2-yl)urea,sulfur trioxide. Following Lipinski's Rule of Five, 1,3-Di(propan-2-yl)urea,sulfur trioxide has 3 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 1,3-Di(propan-2-yl)urea,sulfur trioxide?
The CAS number of 1,3-Di(propan-2-yl)urea,sulfur trioxide is 6417-46-5.
What is the molecular formula of 1,3-Di(propan-2-yl)urea,sulfur trioxide?
The molecular formula of 1,3-Di(propan-2-yl)urea,sulfur trioxide is C40H35N3O3S.
What is the molecular weight of 1,3-Di(propan-2-yl)urea,sulfur trioxide?
The molecular weight of 1,3-Di(propan-2-yl)urea,sulfur trioxide is 637.24 g/mol.
Where can I buy 1,3-Di(propan-2-yl)urea,sulfur trioxide?
You can request a quote for 1,3-Di(propan-2-yl)urea,sulfur trioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Di(propan-2-yl)urea,sulfur trioxide?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Di(propan-2-yl)urea,sulfur trioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.