P70V90DFSK
TL;DR: P70V90DFSK (CAS 221447-99-0) is a chemical compound with molecular formula C40H56N6O7S and molecular weight 764.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-propan-2-yl-1,3-thiazol-4-yl)methyl N-[(2S)-1-[[(2S,3R)-4-[(2S)-4-(1,3-benzodioxol-5-ylmethyl)-2-(tert-butylcarbamoyl)piperazin-1-yl]-3-hydroxy-1-phenylbutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
Also Known As: A-160621, Carbamic acid, N-((1S)-1-((((1S,2R)-3-((2S)-4-(1,3-benzodioxol-5-ylmethyl)-2-(((1,1-dimethylethyl)amino)carbonyl)-1-piperazinyl)-2-hydroxy-1-(phenylmethyl)propyl)amino)carbonyl)-2-methylpropyl)-, (2-(1-methylethyl)-4-thiazolyl)methyl ester, (2-isopropylthiazol-4-yl)methyl N-[(1S)-1-[[(1S,2R)-3-[(2S)-4-(1,3-benzodioxol-5-ylmethyl)-2-(tert-butylcarbamoyl)piperazin-1-yl]-1-benzyl-2-hydroxy-propyl]carbamoyl]-2-methyl-propyl]carbamate, (2-propan-2-yl-1,3-thiazol-4-yl)methyl N-[(2S)-1-[[(2S,3R)-4-[(2S)-4-(1,3-benzodioxol-5-ylmethyl)-2-(tert-butylcarbamoyl)piperazin-1-yl]-3-hydroxy-1-phenylbutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate, (2S)-N-((1S,2R)-3-{4-(2H-Benzo[d]1,3-dioxolan-5-ylmethyl)-2(S)-[N-(tert-butyl)carbamoyl]piperazinyl}-2-hydroxy-1-benzylpropyl)-3-methyl-2-({[2-(methylethyl)(1,3-thiazol-4-yl)]methoxy}carbonylamino)butanamide
| Molecular Formula | C40H56N6O7S |
|---|---|
| Molecular Weight | 764.39 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 183.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 17 |
| Exact Mass | 764.3931 |
| Heavy Atoms | 54 |
| Complexity | 1220.0 |
Chemical Identifiers
| CAS Number | 221447-99-0 |
|---|---|
| SMILES | CC(C)C1=NC(=CS1)COC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC2=CC=CC=C2)[C@@H](CN3CCN(C[C@H]3C(=O)NC(C)(C)C)CC4=CC5=C(C=C4)OCO5)O |
| InChIKey | LZAICYPRHBGZTR-XREYCITQSA-N |
Product Overview
P70V90DFSK (CAS 221447-99-0), with molecular formula C40H56N6O7S and molecular weight 764.39 g/mol. IUPAC: (2-propan-2-yl-1,3-thiazol-4-yl)methyl N-[(2S)-1-[[(2S,3R)-4-[(2S)-4-(1,3-benzodioxol-5-ylmethyl)-2-(tert-butylcarbamoyl)piperazin-1-yl]-3-hydroxy-1-phenylbutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate.
Chemical Property Profile of P70V90DFSK
Property Insights of P70V90DFSK
The XLogP value of 5.3 indicates that P70V90DFSK is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 183.0 Ų indicates high polarity, suggesting P70V90DFSK may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, P70V90DFSK has 4 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of P70V90DFSK?
The CAS number of P70V90DFSK is 221447-99-0.
What is the molecular formula of P70V90DFSK?
The molecular formula of P70V90DFSK is C40H56N6O7S.
What is the molecular weight of P70V90DFSK?
The molecular weight of P70V90DFSK is 764.39 g/mol.
Where can I buy P70V90DFSK?
You can request a quote for P70V90DFSK directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for P70V90DFSK?
Yes, KEHONG BIO provides custom synthesis services for P70V90DFSK and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.