CAS RN: 1432969-86-2

Val-Lys(Boc)-PAB

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5 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251111 100mg In stock Shanghai Inquiry
Batchno.20251228 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
Batchno.20250925 1g In stock Shanghai, Tianjin Inquiry
Batchno.20260507 250mg In stock Shanghai, Tianjin Inquiry
Batchno.20250321 5g Out of stock Inquiry
  • Product code: starshine_CAS1432969-86-2
  • Purity/Analytical Methods: >99.0%
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1432969-86-2 / tert-butyl N-[(5S)-5-[[(2S)-2-amino-3-methylbutanoyl]amino]-6-[4-(hydroxymethyl)anilino]-6-oxohexyl]carbamate

Standard CAS: 1432969-86-2 Multi CAS: No

Basic Information

CAS
1432969-86-2
Multi CAS
No
Molecular Formula
C23H38N4O5
Molecular Weight
450.600000
Exact Mass
450.284220
SMILES
CC(C)[C@@H](C(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)NC1=CC=C(C=C1)CO)N
InChI
InChI=1S/C23H38N4O5/c1-15(2)19(24)21(30)27-18(8-6-7-13-25-22(31)32-23(3,4)5)20(29)26-17-11-9-16(14-28)10-12-17/h9-12,15,18-19,28H,6-8,13-14,24H2,1-5H3,(H,25,31)(H,26,29)(H,27,30)/t18-,19-/m0/s1
InChIKey
BPDGVDDLTIMMLY-OALUTQOASA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
6
Fraction Csp3
0.61
Rotatable bonds
11
H-bond acceptors
6
H-bond donors
5
Molar refractivity
123.83
TPSA
142.78

LogP / Solubility

WLOGP
2.28
MLOGP
2.04
XLogP3
1.8
Consensus LogP
2.04
Log S (ESOL)
-3.48
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.9
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.8
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.85

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

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