1k1n
TL;DR: 1k1n (CAS 146663-95-8) is a chemical compound with molecular formula C29H39N5O7S and molecular weight 601.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-4-[[(2R)-3-(4-carbamimidoylphenyl)-1-oxo-1-piperidin-1-ylpropan-2-yl]amino]-3-[(4-methoxy-2,3,6-trimethylphenyl)sulfonylamino]-4-oxobutanoic acid
Also Known As: 1k1n, CRC200 (CHIRON-BEHRING), [N-[N-(4-METHOXY-2,3,6-TRIMETHYLPHENYLSULFONYL)-L-ASPARTYL]-D-(4-AMIDINO-PHENYLALANYL)]-PIPERIDINE, 32238-EP2301933A1, 32238-EP2311827A1
| Molecular Formula | C29H39N5O7S |
|---|---|
| Molecular Weight | 601.26 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 200.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 12 |
| Exact Mass | 601.257 |
| Heavy Atoms | 42 |
| Complexity | 1070.0 |
Chemical Identifiers
| CAS Number | 146663-95-8 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1S(=O)(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](CC2=CC=C(C=C2)C(=N)N)C(=O)N3CCCCC3)C)C)OC |
| InChIKey | ZOXOKTJHZSUHRJ-XZOQPEGZSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1k1n (CAS 146663-95-8), with molecular formula C29H39N5O7S and molecular weight 601.26 g/mol. IUPAC: (3S)-4-[[(2R)-3-(4-carbamimidoylphenyl)-1-oxo-1-piperidin-1-ylpropan-2-yl]amino]-3-[(4-methoxy-2,3,6-trimethylphenyl)sulfonylamino]-4-oxobutanoic acid.
Chemical Property Profile of 1k1n
Property Insights of 1k1n
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1k1n. The TPSA of 200.0 Ų indicates high polarity, suggesting 1k1n may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1k1n has 5 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1k1n?
The CAS number of 1k1n is 146663-95-8.
What is the molecular formula of 1k1n?
The molecular formula of 1k1n is C29H39N5O7S.
What is the molecular weight of 1k1n?
The molecular weight of 1k1n is 601.26 g/mol.
Where can I buy 1k1n?
You can request a quote for 1k1n directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1k1n?
Yes, KEHONG BIO provides custom synthesis services for 1k1n and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.