A 71623
TL;DR: A 71623 (CAS 130408-77-4) is a chemical compound with molecular formula C44H56N8O9 and molecular weight 840.42 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-methylamino]-3-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-6-[(2-methylphenyl)carbamoylamino]hexanoyl]amino]-4-oxobutanoic acid
Also Known As: A-71623, L-Phenylalaninamide, Boc-Trp-His-OMe, GTPL858, A 71623
| Molecular Formula | C44H56N8O9 |
|---|---|
| Molecular Weight | 840.42 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 254.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 22 |
| Exact Mass | 840.41705 |
| Heavy Atoms | 61 |
| Complexity | 1500.0 |
Chemical Identifiers
| CAS Number | 130408-77-4 |
|---|---|
| SMILES | CC1=CC=CC=C1NC(=O)NCCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N(C)[C@@H](CC2=CC=CC=C2)C(=O)N)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)OC(C)(C)C |
| InChIKey | KNHCBYMGWWTGSO-ZYADHFCISA-N |
Product Overview
A 71623 (CAS 130408-77-4), with molecular formula C44H56N8O9 and molecular weight 840.42 g/mol. IUPAC: (3S)-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-methylamino]-3-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-6-[(2-methylphenyl)carbamoylamino]hexanoyl]amino]-4-oxobutanoic acid.
Chemical Property Profile of A 71623
Property Insights of A 71623
The XLogP value of 3.9 indicates that A 71623 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 254.0 Ų indicates high polarity, suggesting A 71623 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, A 71623 has 8 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 A 71623?
The CAS number of A 71623 is 130408-77-4.
What is the molecular formula of A 71623?
The molecular formula of A 71623 is C44H56N8O9.
What is the molecular weight of A 71623?
The molecular weight of A 71623 is 840.42 g/mol.
Where can I buy A 71623?
You can request a quote for A 71623 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A 71623?
Yes, KEHONG BIO provides custom synthesis services for A 71623 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.