ThienopyridCONH furanyl urethane deriv.
TL;DR: ThienopyridCONH furanyl urethane deriv. (CAS 174173-77-4) is a chemical compound with molecular formula C28H43N3O5S2 and molecular weight 565.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,3S)-2-methyloxolan-3-yl] N-[(2R,3R)-4-[(3aR,6S,7aS)-6-(tert-butylcarbamoyl)-3,3a,4,6,7,7a-hexahydro-2H-thieno[3,2-c]pyridin-5-yl]-3-hydroxy-1-phenylsulfanylbutan-2-yl]carbamate
Also Known As: HOCH2CH2 isostere, Pent-3-en-2-yl-phenylsulfid, ThienopyridCONH furanyl urethane deriv., 5-(3-(3-(R)(((2-cis-Methyltetrahydrofuranyloxy)carbonyl)amino)-4-(phenylthio)-2-hydroxybutyl))-N-(1,1-dimethylethyl)octahydrothieno(3,2-c)pyridine-6(S)-carboxamide, [(2S,3S)-2-methyloxolan-3-yl] N-[(2R,3R)-4-[(3aR,6S,7aS)-6-(tert-butylcarbamoyl)-3,3a,4,6,7,7a-hexahydro-2H-thieno[3,2-c]pyridin-5-yl]-3-hydroxy-1-phenylsulfanylbutan-2-yl]carbamate
| Molecular Formula | C28H43N3O5S2 |
|---|---|
| Molecular Weight | 565.26 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 151.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 565.2644 |
| Heavy Atoms | 38 |
| Complexity | 791.0 |
Chemical Identifiers
| CAS Number | 174173-77-4 |
|---|---|
| SMILES | C[C@H]1[C@H](CCO1)OC(=O)N[C@@H](CSC2=CC=CC=C2)[C@@H](CN3C[C@H]4CCS[C@H]4C[C@H]3C(=O)NC(C)(C)C)O |
| InChIKey | UYIDPTWMZFMUKR-VUCAYNMSSA-N |
Product Overview
ThienopyridCONH furanyl urethane deriv. (CAS 174173-77-4), with molecular formula C28H43N3O5S2 and molecular weight 565.26 g/mol. IUPAC: [(2S,3S)-2-methyloxolan-3-yl] N-[(2R,3R)-4-[(3aR,6S,7aS)-6-(tert-butylcarbamoyl)-3,3a,4,6,7,7a-hexahydro-2H-thieno[3,2-c]pyridin-5-yl]-3-hydroxy-1-phenylsulfanylbutan-2-yl]carbamate.
Chemical Property Profile of ThienopyridCONH furanyl urethane deriv.
Property Insights of ThienopyridCONH furanyl urethane deriv.
The XLogP value of 3.7 indicates that ThienopyridCONH furanyl urethane deriv. is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 151.0 Ų indicates high polarity, suggesting ThienopyridCONH furanyl urethane deriv. may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ThienopyridCONH furanyl urethane deriv. has 3 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 ThienopyridCONH furanyl urethane deriv.?
The CAS number of ThienopyridCONH furanyl urethane deriv. is 174173-77-4.
What is the molecular formula of ThienopyridCONH furanyl urethane deriv.?
The molecular formula of ThienopyridCONH furanyl urethane deriv. is C28H43N3O5S2.
What is the molecular weight of ThienopyridCONH furanyl urethane deriv.?
The molecular weight of ThienopyridCONH furanyl urethane deriv. is 565.26 g/mol.
Where can I buy ThienopyridCONH furanyl urethane deriv.?
You can request a quote for ThienopyridCONH furanyl urethane deriv. directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ThienopyridCONH furanyl urethane deriv.?
Yes, KEHONG BIO provides custom synthesis services for ThienopyridCONH furanyl urethane deriv. and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.