BRN 6020553
TL;DR: BRN 6020553 (CAS 109911-99-1) is a chemical compound with molecular formula C27H25N7OS and molecular weight 495.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-N-[(E)-N-anilino-C-[4-(dimethylamino)phenyl]carbonimidoyl]imino-4-benzylidene-2-methyl-5-oxoimidazole-1-carbothioamide
Also Known As: 1H-Imidazole-1-carbothioic acid, 4,5-dihydro-2-methyl-5-oxo-4-(phenylmethylene)-, ((4-(dimethylamino)phenyl)(phenylazo)methylene)hydrazide, BRN 6020553
| Molecular Formula | C27H25N7OS |
|---|---|
| Molecular Weight | 495.18 g/mol |
| LogP | 5.5651 |
| Topological Polar Surface Area | 85.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 495.18414 |
| Heavy Atoms | 36 |
| Complexity | 1362.2507 |
Chemical Identifiers
| CAS Number | 109911-99-1 |
|---|---|
| SMILES | CC1=N/C(=C/C2=CC=CC=C2)/C(=O)N1C(=S)N=N/C(=N/NC3=CC=CC=C3)/C4=CC=C(C=C4)N(C)C |
Product Overview
BRN 6020553 (CAS 109911-99-1), with molecular formula C27H25N7OS and molecular weight 495.18 g/mol. IUPAC: (4E)-N-[(E)-N-anilino-C-[4-(dimethylamino)phenyl]carbonimidoyl]imino-4-benzylidene-2-methyl-5-oxoimidazole-1-carbothioamide.
Chemical Property Profile of BRN 6020553
Property Insights of BRN 6020553
The XLogP value of 5.5651 indicates that BRN 6020553 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.02 Ų falls within the moderate polarity range, balancing permeability and solubility for BRN 6020553. Following Lipinski's Rule of Five, BRN 6020553 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 BRN 6020553?
The CAS number of BRN 6020553 is 109911-99-1.
What is the molecular formula of BRN 6020553?
The molecular formula of BRN 6020553 is C27H25N7OS.
What is the molecular weight of BRN 6020553?
The molecular weight of BRN 6020553 is 495.18 g/mol.
Where can I buy BRN 6020553?
You can request a quote for BRN 6020553 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BRN 6020553?
Yes, KEHONG BIO provides custom synthesis services for BRN 6020553 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.