[email protected]
CAS 1436391-86-4 PF-06380101 molecular structure lightbox
CAS RN: 1436391-86-4

PF-06380101

Product Availability

Choose a grade to view its available package options.

3 package records0 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260225 1mg / 5mg Out of stock 5-7 business days Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260525 1mg Out of stock Inquiry
Batchno.20250203 5mg Out of stock Inquiry
  • Product code: starshine_CAS1436391-86-4
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1436391-86-4 / (2S)-2-[(2-amino-2-methylpropanoyl)amino]-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide

Standard CAS: 1436391-86-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1436391-86-4
Multi CAS
No
Molecular Formula
C39H62N6O6S
Molecular Weight
743.000000
Exact Mass
742.445155
SMILES
CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C)C(=O)N[C@@H](CC2=CC=CC=C2)C3=NC=CS3)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)C(C)(C)N
InChI
InChI=1S/C39H62N6O6S/c1-11-25(4)33(44(8)37(48)32(24(2)3)43-38(49)39(6,7)40)30(50-9)23-31(46)45-20-15-18-29(45)34(51-10)26(5)35(47)42-28(36-41-19-21-52-36)22-27-16-13-12-14-17-27/h12-14,16-17,19,21,24-26,28-30,32-34H,11,15,18,20,22-23,40H2,1-10H3,(H,42,47)(H,43,49)/t25-,26+,28-,29-,30+,32-,33-,34+/m0/s1
InChIKey
QAAFNSMAIAVCHE-BZLYQNAUSA-N

Computed Properties

Structural Parameters

Heavy atom count
52
Aromatic heavy atom count
11
Fraction Csp3
0.67
Rotatable bonds
19
H-bond acceptors
9
H-bond donors
3
Molar refractivity
204.3
TPSA
156.19

LogP / Solubility

WLOGP
4.34
MLOGP
3.89
XLogP3
4.1
Consensus LogP
4.11
Log S (ESOL)
-6.08
Class (ESOL)
Insoluble
Log S (Ali)
-8.79
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.37
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-4.17

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
8

Customers Also Viewed

Get In Touch

Contact Us