[email protected]
CAS 693793-87-2 Difluoro Atorvastatin Acetonide tert-Butyl Ester molecular structure lightbox
CAS RN: 693793-87-2

Difluoro Atorvastatin Acetonide tert-Butyl Ester

  • Product code: SSC-179019
GET A QUOTE
Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 693793-87-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

693793-87-2 / tert-butyl 2-[(4R,6R)-6-[2-[2,3-bis(4-fluorophenyl)-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate

Standard CAS: 693793-87-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
693793-87-2
Multi CAS
Yes
Molecular Formula
C40F2H46N2O5
Molecular Weight
672.800000
Exact Mass
672.337479
InChI
InChI=1S/C40H46F2N2O5/c1-25(2)36-35(38(46)43-30-11-9-8-10-12-30)34(26-13-17-28(41)18-14-26)37(27-15-19-29(42)20-16-27)44(36)22-21-31-23-32(48-40(6,7)47-31)24-33(45)49-39(3,4)5/h8-20,25,31-32H,21-24H2,1-7H3,(H,43,46)/t31-,32-/m1/s1
InChIKey
FXOZEZIWLMWZMX-ROJLCIKYSA-N

Computed Properties

Structural Parameters

Heavy atom count
49
Aromatic heavy atom count
23
Fraction Csp3
0.4
Rotatable bonds
10
H-bond acceptors
6
H-bond donors
1
Molar refractivity
187.23
TPSA
78.79

LogP / Solubility

WLOGP
9.51
MLOGP
8.42
XLogP3
7.9
Consensus LogP
8.61
Log S (ESOL)
-9.69
Class (ESOL)
Insoluble
Log S (Ali)
-11.94
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.13
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.07

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
6

Customers Also Viewed

Get In Touch

Contact Us