1c4u
TL;DR: 1c4u (CAS 14291-02-2) is a chemical compound with molecular formula C23H29BrN6O5S and molecular weight 580.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5S)-2-[2-(4-bromophenyl)sulfonylethyl]-N-[(4-carbamimidoylcyclohexyl)methyl]-1,3-dioxo-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-5-carboxamide
Also Known As: 1c4u, (5S)-2-[2-(4-bromophenyl)sulfonylethyl]-N-[(4-carbamimidoylcyclohexyl)methyl]-1,3-dioxo-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-5-carboxamide, 2-[2-(4-bromo-benzenesulfonyl)-ethyl]-1-3-dioxo-2,3,5,8-tetrahydro-1h-[1,2,4]triazolo[1,2-a]pyridazine-5-carboxylic acid(4-carbamimidoyl-cyclohexylmethyl)-amide, IH1, (5S)-2-{2-[(4-bromophenyl)sulfonyl]ethyl}-N-[(trans-4-carbamimidoylcyclohexyl)methyl]-1,3-dioxo-2,3,5,8-tetrahydro-1H-[1,2,4]triazolo[1,2-a]pyridazine-5-carboxamide
| Molecular Formula | C23H29BrN6O5S |
|---|---|
| Molecular Weight | 580.11 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 165.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 580.11035 |
| Heavy Atoms | 36 |
| Complexity | 1010.0 |
Chemical Identifiers
| CAS Number | 14291-02-2 |
|---|---|
| SMILES | C1CC(CCC1CNC(=O)[C@@H]2C=CCN3N2C(=O)N(C3=O)CCS(=O)(=O)C4=CC=C(C=C4)Br)C(=N)N |
| InChIKey | CAGDDDRYEVLPOJ-RJYAGPCLSA-N |
Product Overview
1c4u (CAS 14291-02-2), with molecular formula C23H29BrN6O5S and molecular weight 580.11 g/mol. IUPAC: (5S)-2-[2-(4-bromophenyl)sulfonylethyl]-N-[(4-carbamimidoylcyclohexyl)methyl]-1,3-dioxo-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-5-carboxamide.
Chemical Property Profile of 1c4u
Property Insights of 1c4u
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1c4u. The TPSA of 165.0 Ų indicates high polarity, suggesting 1c4u may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1c4u 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 1c4u?
The CAS number of 1c4u is 14291-02-2.
What is the molecular formula of 1c4u?
The molecular formula of 1c4u is C23H29BrN6O5S.
What is the molecular weight of 1c4u?
The molecular weight of 1c4u is 580.11 g/mol.
Where can I buy 1c4u?
You can request a quote for 1c4u directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1c4u?
Yes, KEHONG BIO provides custom synthesis services for 1c4u and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.