Ritonavir deriv.
TL;DR: Ritonavir deriv. (CAS 144141-97-9) is a chemical compound with molecular formula C37H43N5O6 and molecular weight 653.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pyridin-2-ylmethyl N-[(2S)-1-[[(2S,3S,5S)-3-hydroxy-1,6-diphenyl-5-(pyridin-3-ylmethoxycarbonylamino)hexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
Also Known As: Ritonavir deriv., Ro-32-2175, 2-Oxa-4,7,12-triazatridecan-13-oic acid, 9-hydroxy-5-(1-methylethyl)-3,6-dioxo-8,11-bis(phenylmethyl)-1-(2-pyridinyl)-, 3-pyridinylmethyl ester, (5S,8S,9S,11S)-, pyridin-2-ylmethyl N-[(2S)-1-[[(2S,3S,5S)-3-hydroxy-1,6-diphenyl-5-(pyridin-3-ylmethoxycarbonylamino)hexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate, 12-OXA-2,7,10-TRIAZATRIDECANOIC ACID, 5-HYDROXY-9-(1-METHYLETHYL)-8,11-DIOXO-3,6-BIS(PHENYLMETHYL)-13-(2-PYRIDINYL)-, 3-PYRIDINYLMETHYL ESTER, (3S,5S,6S,9S)-
| Molecular Formula | C37H43N5O6 |
|---|---|
| Molecular Weight | 653.32 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 152.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 18 |
| Exact Mass | 653.32135 |
| Heavy Atoms | 48 |
| Complexity | 957.0 |
Chemical Identifiers
| CAS Number | 144141-97-9 |
|---|---|
| SMILES | CC(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@H](C[C@H](CC2=CC=CC=C2)NC(=O)OCC3=CN=CC=C3)O)NC(=O)OCC4=CC=CC=N4 |
| InChIKey | SSIBMWPFXYSVEK-CUPIEXAXSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ritonavir deriv. (CAS 144141-97-9), with molecular formula C37H43N5O6 and molecular weight 653.32 g/mol. IUPAC: pyridin-2-ylmethyl N-[(2S)-1-[[(2S,3S,5S)-3-hydroxy-1,6-diphenyl-5-(pyridin-3-ylmethoxycarbonylamino)hexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate.
Chemical Property Profile of Ritonavir deriv.
Property Insights of Ritonavir deriv.
The XLogP value of 5.0 indicates that Ritonavir deriv. is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 152.0 Ų indicates high polarity, suggesting Ritonavir deriv. may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ritonavir deriv. has 4 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 Ritonavir deriv.?
The CAS number of Ritonavir deriv. is 144141-97-9.
What is the molecular formula of Ritonavir deriv.?
The molecular formula of Ritonavir deriv. is C37H43N5O6.
What is the molecular weight of Ritonavir deriv.?
The molecular weight of Ritonavir deriv. is 653.32 g/mol.
Where can I buy Ritonavir deriv.?
You can request a quote for Ritonavir deriv. directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ritonavir deriv.?
Yes, KEHONG BIO provides custom synthesis services for Ritonavir deriv. and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.