Fmoc-(S)-3-amino-5-carboxymethyl-2,3-dihydro-1,5-benzoxazepin-4(5H)-one
TL;DR: Fmoc-(S)-3-amino-5-carboxymethyl-2,3-dihydro-1,5-benzoxazepin-4(5H)-one (CAS 959574-95-9) is a chemical compound with molecular formula C26H22N2O6 and molecular weight 458.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl]acetic acid
Also Known As: Fmoc-(S)-3-amino-5-carboxymethyl-2,3-dihydro-1,5-benzoxazepin-4(5H)-one, A-8423, 2-[(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl]acetic acid, (3S)-3-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-3,4-dihydro-4-oxo-1,5-benzoxazepine-5(2H)-acetic acid, (S)-Fmoc-3-amino-5-carboxymethyl-2,3-dihydro-1,5-benzoxazepin-4(5h)-one
| Molecular Formula | C26H22N2O6 |
|---|---|
| Molecular Weight | 458.15 g/mol |
| LogP | 3.4039 |
| Topological Polar Surface Area | 105.17 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 458.1478 |
| Heavy Atoms | 34 |
| Complexity | 1227.9055 |
Chemical Identifiers
| CAS Number | 959574-95-9 |
|---|---|
| SMILES | C1[C@@H](C(=O)N(C2=CC=CC=C2O1)CC(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35 |
Product Overview
Fmoc-(S)-3-amino-5-carboxymethyl-2,3-dihydro-1,5-benzoxazepin-4(5H)-one (CAS 959574-95-9), with molecular formula C26H22N2O6 and molecular weight 458.15 g/mol. IUPAC: 2-[(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl]acetic acid.
Chemical Property Profile of Fmoc-(S)-3-amino-5-carboxymethyl-2,3-dihydro-1,5-benzoxazepin-4(5H)-one
Property Insights of Fmoc-(S)-3-amino-5-carboxymethyl-2,3-dihydro-1,5-benzoxazepin-4(5H)-one
The XLogP value of 3.4039 indicates that Fmoc-(S)-3-amino-5-carboxymethyl-2,3-dihydro-1,5-benzoxazepin-4(5H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.17 Ų falls within the moderate polarity range, balancing permeability and solubility for Fmoc-(S)-3-amino-5-carboxymethyl-2,3-dihydro-1,5-benzoxazepin-4(5H)-one. Following Lipinski's Rule of Five, Fmoc-(S)-3-amino-5-carboxymethyl-2,3-dihydro-1,5-benzoxazepin-4(5H)-one has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Fmoc-(S)-3-amino-5-carboxymethyl-2,3-dihydro-1,5-benzoxazepin-4(5H)-one?
The CAS number of Fmoc-(S)-3-amino-5-carboxymethyl-2,3-dihydro-1,5-benzoxazepin-4(5H)-one is 959574-95-9.
What is the molecular formula of Fmoc-(S)-3-amino-5-carboxymethyl-2,3-dihydro-1,5-benzoxazepin-4(5H)-one?
The molecular formula of Fmoc-(S)-3-amino-5-carboxymethyl-2,3-dihydro-1,5-benzoxazepin-4(5H)-one is C26H22N2O6.
What is the molecular weight of Fmoc-(S)-3-amino-5-carboxymethyl-2,3-dihydro-1,5-benzoxazepin-4(5H)-one?
The molecular weight of Fmoc-(S)-3-amino-5-carboxymethyl-2,3-dihydro-1,5-benzoxazepin-4(5H)-one is 458.15 g/mol.
Where can I buy Fmoc-(S)-3-amino-5-carboxymethyl-2,3-dihydro-1,5-benzoxazepin-4(5H)-one?
You can request a quote for Fmoc-(S)-3-amino-5-carboxymethyl-2,3-dihydro-1,5-benzoxazepin-4(5H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Fmoc-(S)-3-amino-5-carboxymethyl-2,3-dihydro-1,5-benzoxazepin-4(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for Fmoc-(S)-3-amino-5-carboxymethyl-2,3-dihydro-1,5-benzoxazepin-4(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.