C.I. Direct Black 11
TL;DR: C.I. Direct Black 11 (CAS 329779-61-5) is a chemical compound with molecular formula C24H30N2OS and molecular weight 394.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-methylpropyl)-2-[(2,3,4,5,6-pentamethylphenyl)methylsulfanyl]quinazolin-4-one
Also Known As: C.I. Direct Black 11, C.I. Direct Black 11, disodium salt, 3-isobutyl-2-[(2,3,4,5,6-pentamethylbenzyl)sulfanyl]-4(3H)-quinazolinone, 3-(2-methylpropyl)-2-{[(2,3,4,5,6-pentamethylphenyl)methyl]sulfanyl}-3,4-dihydroquinazolin-4-one, 2,7-Naphthalenedisulfonic acid, 4-amino-3-((4'-((2,4-diamino-5-chlorophenyl)azo)(1,1'-biphenyl)-4-yl)azo)-5-hydroxy-6-(phenylazo)-, disodium salt
| Molecular Formula | C24H30N2OS |
|---|---|
| Molecular Weight | 394.21 g/mol |
| LogP | 5.8869 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 394.2079 |
| Heavy Atoms | 28 |
| Complexity | 1066.931 |
Chemical Identifiers
| CAS Number | 329779-61-5 |
|---|---|
| SMILES | CC1=C(C(=C(C(=C1C)C)CSC2=NC3=CC=CC=C3C(=O)N2CC(C)C)C)C |
Product Overview
C.I. Direct Black 11 (CAS 329779-61-5), with molecular formula C24H30N2OS and molecular weight 394.21 g/mol. IUPAC: 3-(2-methylpropyl)-2-[(2,3,4,5,6-pentamethylphenyl)methylsulfanyl]quinazolin-4-one.
Chemical Property Profile of C.I. Direct Black 11
Property Insights of C.I. Direct Black 11
The XLogP value of 5.8869 indicates that C.I. Direct Black 11 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.89 Ų, C.I. Direct Black 11 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C.I. Direct Black 11 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C.I. Direct Black 11?
The CAS number of C.I. Direct Black 11 is 329779-61-5.
What is the molecular formula of C.I. Direct Black 11?
The molecular formula of C.I. Direct Black 11 is C24H30N2OS.
What is the molecular weight of C.I. Direct Black 11?
The molecular weight of C.I. Direct Black 11 is 394.21 g/mol.
Where can I buy C.I. Direct Black 11?
You can request a quote for C.I. Direct Black 11 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C.I. Direct Black 11?
Yes, KEHONG BIO provides custom synthesis services for C.I. Direct Black 11 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.