Urethane deriv. 2
TL;DR: Urethane deriv. 2 (CAS 145631-03-4) is a chemical compound with molecular formula C33H38N2O6 and molecular weight 558.273 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(3S)-oxolan-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. 2, L685,434 deriv., Carbamic acid, ((1S,2S,4R)-5-(((1S,2R)-2,3-dihydro-2-hydroxy-1H-inden-1-yl)amino)-2-hydroxy-5-oxo-1,4-bis(phenylmethyl)pentyl)-, (3S)-tetrahydro-3-furanyl ester, N-(2(R)-Hydroxy-1(S)-indanyl)-5-(S)-(((3(S)-tetrahydrofuranyloxy)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-[[[(S)-3-oxolanyloxy]carbonyl]amino]-6-phenylhexanamide
Technical Specifications
| Molecular Formula | C33H38N2O6 |
| Molecular Weight | 558.273 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 117.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 558.273 Da |
| Heavy Atoms | 41 |
| Complexity | 829.0 |
| SMILES | C1COC[C@H]1OC(=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 | PKJPLBXKJRGYRL-NKGNNZHESA-N |
Chemical Property Profile of Urethane deriv. 2
Property Insights of Urethane deriv. 2
The XLogP value of 3.9 indicates that Urethane deriv. 2 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. 2. Following Lipinski's Rule of Five, Urethane deriv. 2 has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Urethane deriv. 2?
The CAS number of Urethane deriv. 2 is 145631-03-4.
What is the molecular formula of Urethane deriv. 2?
The molecular formula of Urethane deriv. 2 is C33H38N2O6.
What is the molecular weight of Urethane deriv. 2?
The molecular weight of Urethane deriv. 2 is 558.273 g/mol.
Where can I buy Urethane deriv. 2?
You can request a quote for Urethane deriv. 2 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Urethane deriv. 2?
Yes, CoreyChem provides custom synthesis services for Urethane deriv. 2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.