QK6IAJLA0M
TL;DR: QK6IAJLA0M (CAS 158991-23-2) is a chemical compound with molecular formula C30H29N3O4 and molecular weight 495.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzofuran-2-ylmethyl N-[(2R)-3-(1H-indol-3-yl)-2-methyl-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl]carbamate
Also Known As: PD 154075, Carbamic acid, N-((1R)-1-(1H-indol-3-ylmethyl)-1-methyl-2-oxo-2-(((1S)-1-phenylethyl)amino)ethyl)-, 2-benzofuranylmethyl ester, 2-benzofuranylmethoxycarbonyl-alpha-methyltryptophan-N-(1-phenylethyl)amide, Carbamic acid, N-[(1R)-1-(1H-indol-3-ylmethyl)-1-methyl-2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-, 2-benzofuranylmethyl ester, (1-benzofuran-2-yl)methyl N-[(1R)-1-[(1H-indol-3-yl)methyl]-1-{[(1S)-1-phenylethyl]carbamoyl}ethyl]carbamate
| Molecular Formula | C30H29N3O4 |
|---|---|
| Molecular Weight | 495.22 g/mol |
| LogP | 6.0191 |
| Topological Polar Surface Area | 96.36 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 495.21582 |
| Heavy Atoms | 37 |
| Complexity | 1505.3451 |
Chemical Identifiers
| CAS Number | 158991-23-2 |
|---|---|
| SMILES | C[C@@H](C1=CC=CC=C1)NC(=O)[C@@](C)(CC2=CNC3=CC=CC=C32)NC(=O)OCC4=CC5=CC=CC=C5O4 |
Product Overview
QK6IAJLA0M (CAS 158991-23-2), with molecular formula C30H29N3O4 and molecular weight 495.22 g/mol. IUPAC: 1-benzofuran-2-ylmethyl N-[(2R)-3-(1H-indol-3-yl)-2-methyl-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl]carbamate.
Chemical Property Profile of QK6IAJLA0M
Property Insights of QK6IAJLA0M
The XLogP value of 6.0191 indicates that QK6IAJLA0M is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.36 Ų falls within the moderate polarity range, balancing permeability and solubility for QK6IAJLA0M. Following Lipinski's Rule of Five, QK6IAJLA0M has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of QK6IAJLA0M?
The CAS number of QK6IAJLA0M is 158991-23-2.
What is the molecular formula of QK6IAJLA0M?
The molecular formula of QK6IAJLA0M is C30H29N3O4.
What is the molecular weight of QK6IAJLA0M?
The molecular weight of QK6IAJLA0M is 495.22 g/mol.
Where can I buy QK6IAJLA0M?
You can request a quote for QK6IAJLA0M directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for QK6IAJLA0M?
Yes, KEHONG BIO provides custom synthesis services for QK6IAJLA0M and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.