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CAS 767625-11-6 2-(((1S,2R,4S)-4-(dimethylcarbamoyl)-2-(5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine-2-carboxamido)cyclohexyl)amino)-2-oxoacetic acid molecular structure lightbox
CAS RN: 767625-11-6

2-(((1S,2R,4S)-4-(dimethylcarbamoyl)-2-(5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine-2-carboxamido)cyclohexyl)amino)-2-oxoacetic acid

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250730 50mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS767625-11-6
  • Purity/Analytical Methods: >99.0%
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767625-11-6 / 2-[[(1S,2R,4S)-4-(dimethylcarbamoyl)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]cyclohexyl]amino]-2-oxoacetic acid

Standard CAS: 767625-11-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
767625-11-6
Multi CAS
Yes
Molecular Formula
C19H27N5O5S
Molecular Weight
437.500000
Exact Mass
437.173290
InChI
InChI=1S/C19H27N5O5S/c1-23(2)18(27)10-4-5-11(20-16(26)19(28)29)13(8-10)21-15(25)17-22-12-6-7-24(3)9-14(12)30-17/h10-11,13H,4-9H2,1-3H3,(H,20,26)(H,21,25)(H,28,29)/t10-,11-,13+/m0/s1
InChIKey
CIKVHUDEOYKYGJ-GMXVVIOVSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
5
Fraction Csp3
0.63
Rotatable bonds
4
H-bond acceptors
7
H-bond donors
3
Molar refractivity
109.01
TPSA
131.94

LogP / Solubility

WLOGP
-0.31
MLOGP
-0.25
XLogP3
-2.1
Consensus LogP
-0.89
Log S (ESOL)
-2.21
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.92
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.72
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.61

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

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