A 76889
TL;DR: A 76889 (CAS 134805-77-9) is a chemical compound with molecular formula C44H58N8O6 and molecular weight 794.45 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-N-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[[(2S)-3-methyl-2-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]-3-methyl-2-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]butanamide
Also Known As: 1hvl, A 76889, A-76889, KST-1A1257, (2S)-N-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[[(2S)-3-methyl-2-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]-3-methyl-2-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]butanamide
| Molecular Formula | C44H58N8O6 |
|---|---|
| Molecular Weight | 794.45 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 189.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 19 |
| Exact Mass | 794.44794 |
| Heavy Atoms | 58 |
| Complexity | 1170.0 |
Chemical Identifiers
| CAS Number | 134805-77-9 |
|---|---|
| SMILES | CC(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@H]([C@@H]([C@H](CC2=CC=CC=C2)NC(=O)[C@H](C(C)C)NC(=O)N(C)CC3=CC=CC=N3)O)O)NC(=O)N(C)CC4=CC=CC=N4 |
| InChIKey | QPVWMQXBTCSLCB-RRUVMKMCSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
A 76889 (CAS 134805-77-9), with molecular formula C44H58N8O6 and molecular weight 794.45 g/mol. IUPAC: (2S)-N-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[[(2S)-3-methyl-2-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]-3-methyl-2-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]butanamide.
Chemical Property Profile of A 76889
Property Insights of A 76889
The XLogP value of 4.0 indicates that A 76889 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 189.0 Ų indicates high polarity, suggesting A 76889 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, A 76889 has 6 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A 76889?
The CAS number of A 76889 is 134805-77-9.
What is the molecular formula of A 76889?
The molecular formula of A 76889 is C44H58N8O6.
What is the molecular weight of A 76889?
The molecular weight of A 76889 is 794.45 g/mol.
Where can I buy A 76889?
You can request a quote for A 76889 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A 76889?
Yes, KEHONG BIO provides custom synthesis services for A 76889 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.