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CAS 1441670-89-8 ledipasvir interMediate molecular structure lightbox
CAS RN: 1441670-89-8

ledipasvir interMediate

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5 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251107 1g In stock Shanghai Inquiry
Batchno.20250826 250mg In stock Shanghai, Tianjin Inquiry
Batchno.20251024 250mg / 1g / 5g / 25g Out of stock 5-7 business days Inquiry
Batchno.20260430 25g Out of stock Inquiry
Batchno.20250809 5g Out of stock Inquiry
  • Product code: starshine_CAS1441670-89-8
  • Purity/Analytical Methods: >99.0%
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1441670-89-8 / tert-butyl (6S)-6-[5-(7-bromo-9,9-difluorofluoren-2-yl)-1H-imidazol-2-yl]-5-azaspiro[2.4]heptane-5-carboxylate

Standard CAS: 1441670-89-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1441670-89-8
Multi CAS
No
Molecular Formula
C27H26BrF2N3O2
Molecular Weight
542.400000
Exact Mass
541.117650
SMILES
CC(C)(C)OC(=O)N1CC2(CC2)C[C@H]1C3=NC=C(N3)C4=CC5=C(C=C4)C6=C(C5(F)F)C=C(C=C6)Br
InChI
InChI=1S/C27H26BrF2N3O2/c1-25(2,3)35-24(34)33-14-26(8-9-26)12-22(33)23-31-13-21(32-23)15-4-6-17-18-7-5-16(28)11-20(18)27(29,30)19(17)10-15/h4-7,10-11,13,22H,8-9,12,14H2,1-3H3,(H,31,32)/t22-/m0/s1
InChIKey
CZEZIZZCMWUQHO-QFIPXVFZSA-N

Computed Properties

Structural Parameters

Heavy atom count
35
Aromatic heavy atom count
17
Fraction Csp3
0.41
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
132.12
TPSA
58.22

LogP / Solubility

WLOGP
7.42
MLOGP
6.57
XLogP3
5.7
Consensus LogP
6.56
Log S (ESOL)
-8.11
Class (ESOL)
Insoluble
Log S (Ali)
-9.37
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.59
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)
-0.76

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
5.5

Safety & Transport

Pictogram(s)
Health Hazard
Signal
Warning
GHS Hazard Statements
H371 (100%): May cause damage to organs [Warning Specific target organ toxicity, single exposure]
Precautionary Statement Codes
P260, P264, P270, P308+P316, P405, and P501

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