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CAS 146439-94-3 H-SER-ILE-LYS-VAL-ALA-VAL-OH molecular structure lightbox
CAS RN: 146439-94-3

H-SER-ILE-LYS-VAL-ALA-VAL-OH

Product Availability

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3 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250312 100mg In stock Shanghai, Shandong, Hebei Inquiry
Batchno.20250613 250mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251122 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS146439-94-3
  • Purity/Analytical Methods: >99.0%
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146439-94-3 / (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-3-methylbutanoic acid

Standard CAS: 146439-94-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
146439-94-3
Multi CAS
No
Molecular Formula
C28H53N7O8
Molecular Weight
615.800000
Exact Mass
615.395562
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)O)NC(=O)[C@H](CO)N
InChI
InChI=1S/C28H53N7O8/c1-8-16(6)22(35-24(38)18(30)13-36)27(41)32-19(11-9-10-12-29)25(39)33-20(14(2)3)26(40)31-17(7)23(37)34-21(15(4)5)28(42)43/h14-22,36H,8-13,29-30H2,1-7H3,(H,31,40)(H,32,41)(H,33,39)(H,34,37)(H,35,38)(H,42,43)/t16-,17-,18-,19-,20-,21-,22-/m0/s1
InChIKey
OFGVZFQUFJYSGS-CPDXTSBQSA-N

Computed Properties

Structural Parameters

Heavy atom count
43
Fraction Csp3
0.79
Rotatable bonds
20
H-bond acceptors
9
H-bond donors
9
Molar refractivity
160.06
TPSA
255.07

LogP / Solubility

WLOGP
-1.68
MLOGP
-1.43
XLogP3
-2.4
Consensus LogP
-1.84
Log S (ESOL)
-1.28
Class (ESOL)
Soluble
Log S (Ali)
-3.4
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.67
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-7.67

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7.5

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