Kni 102
TL;DR: Kni 102 (CAS 139694-65-8) is a chemical compound with molecular formula C31H41N5O7 and molecular weight 595.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl N-[(2S)-4-amino-1-[[(2S,3S)-4-[(2S)-2-(tert-butylcarbamoyl)pyrrolidin-1-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamate
Also Known As: Kni 102, AHPBA 1a, Z-Asn-apns-pro-NH-t-but, Rpi 312, Cbz-Asn-Apns-Pro-NH-tBu
| Molecular Formula | C31H41N5O7 |
|---|---|
| Molecular Weight | 595.30 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 180.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 14 |
| Exact Mass | 595.3006 |
| Heavy Atoms | 43 |
| Complexity | 972.0 |
Chemical Identifiers
| CAS Number | 139694-65-8 |
|---|---|
| SMILES | CC(C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@H]([C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC(=O)N)NC(=O)OCC3=CC=CC=C3)O |
| InChIKey | XCVUOCMQYKSJJR-IGRGDXOOSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Kni 102 (CAS 139694-65-8), with molecular formula C31H41N5O7 and molecular weight 595.30 g/mol. IUPAC: benzyl N-[(2S)-4-amino-1-[[(2S,3S)-4-[(2S)-2-(tert-butylcarbamoyl)pyrrolidin-1-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamate.
Chemical Property Profile of Kni 102
Property Insights of Kni 102
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Kni 102. The TPSA of 180.0 Ų indicates high polarity, suggesting Kni 102 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Kni 102 has 5 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Kni 102?
The CAS number of Kni 102 is 139694-65-8.
What is the molecular formula of Kni 102?
The molecular formula of Kni 102 is C31H41N5O7.
What is the molecular weight of Kni 102?
The molecular weight of Kni 102 is 595.30 g/mol.
Where can I buy Kni 102?
You can request a quote for Kni 102 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Kni 102?
Yes, KEHONG BIO provides custom synthesis services for Kni 102 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.