TL;DR: Urethane deriv. 5 (CAS 145631-05-6) is a chemical compound with molecular formula C34H40N2O6 and molecular weight 572.28864 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(3S)-oxan-3-yl] N-[(2S,3S,5R)-5-benzyl-3-hydroxy-6-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-6-oxo-1-phenylhexan-2-yl]carbamate
Also Known As: Urethane deriv. 5, L685,434 deriv., Carbamic acid, (5-((2,3-dihydro-2-hydroxy-1H-inden-1-yl)amino)-2-hydroxy-5-oxo-1,4-bis(phenylmethyl)pentyl)-, tetrahydro-2H-pyran-3-yl ester, (1S-(1alpha(1R*(R*),2R*,4S*),2alpha))-, N-(2(R)-Hydroxy-1(S)-indanyl)-5(S)-(((3(S)-tetrahydropyranyloxy)carbonyl)amino)-4(S)-hydroxy-6-phenyl-2(R)-benzylhexanamide, (2R,4S,5S)-N-[(1S,2R)-2-Hydroxyindan-1-yl]-2-benzyl-4-hydroxy-5-[[[[(3S)-tetrahydro-2H-pyran]-3-yloxy]carbonyl]amino]-6-phenylhexanamide
| Molecular Formula | C34H40N2O6 |
| Molecular Weight | 572.28864 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 117.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 572.28864 Da |
| Heavy Atoms | 42 |
| Complexity | 844.0 |
| SMILES | C1C[C@@H](COC1)OC(=O)N[C@@H](CC2=CC=CC=C2)[C@H](C[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H]4[C@@H](CC5=CC=CC=C45)O)O |
| InChIKey | WHEAOWNCXPCPCE-QWELAOBGSA-N |
The XLogP value of 4.3 indicates that Urethane deriv. 5 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Urethane deriv. 5. Following Lipinski's Rule of Five, Urethane deriv. 5 has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Urethane deriv. 5 is 145631-05-6.
The molecular formula of Urethane deriv. 5 is C34H40N2O6.
The molecular weight of Urethane deriv. 5 is 572.28864 g/mol.
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