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CAS 148927-60-0 L-368,899hydrochloride molecular structure lightbox
CAS RN: 148927-60-0

L-368,899hydrochloride

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250407 5mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS148927-60-0
  • Purity/Analytical Methods: >99.0%
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148927-60-0 / (2S)-2-amino-N-[(1S,2S,4R)-7,7-dimethyl-1-[[4-(2-methylphenyl)piperazin-1-yl]sulfonylmethyl]-2-bicyclo[2.2.1]heptanyl]-4-methylsulfonylbutanamide

Standard CAS: 148927-60-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
148927-60-0
Multi CAS
No
Molecular Formula
C26H42N4O5S2
Molecular Weight
554.800000
Exact Mass
554.259663
SMILES
CC1=CC=CC=C1N2CCN(CC2)S(=O)(=O)C[C@@]34CC[C@@H](C3(C)C)C[C@@H]4NC(=O)[C@H](CCS(=O)(=O)C)N
InChI
InChI=1S/C26H42N4O5S2/c1-19-7-5-6-8-22(19)29-12-14-30(15-13-29)37(34,35)18-26-11-9-20(25(26,2)3)17-23(26)28-24(31)21(27)10-16-36(4,32)33/h5-8,20-21,23H,9-18,27H2,1-4H3,(H,28,31)/t20-,21+,23+,26-/m1/s1
InChIKey
MWIASLNTAGRGGA-ZJPWWDJASA-N

Computed Properties

Structural Parameters

Heavy atom count
37
Aromatic heavy atom count
6
Fraction Csp3
0.73
Rotatable bonds
9
H-bond acceptors
7
H-bond donors
2
Molar refractivity
146.54
TPSA
129.88

LogP / Solubility

WLOGP
1.52
MLOGP
1.38
XLogP3
2.1
Consensus LogP
1.67
Log S (ESOL)
-3.76
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.21
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.61
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.03

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
8.5

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