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CAS 15136-12-6 BOC-LEU-LEU-OH molecular structure lightbox
CAS RN: 15136-12-6

BOC-LEU-LEU-OH

  • Product code: SSC-061209
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 15136-12-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

15136-12-6 / methyl (2S)-4-methyl-2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]pentanoate

Standard CAS: 15136-12-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
15136-12-6
Multi CAS
No
Molecular Formula
C18H34N2O5
Molecular Weight
358.500000
Exact Mass
358.246772
SMILES
CC(C)C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)OC)NC(=O)OC(C)(C)C
InChI
InChI=1S/C18H34N2O5/c1-11(2)9-13(20-17(23)25-18(5,6)7)15(21)19-14(10-12(3)4)16(22)24-8/h11-14H,9-10H2,1-8H3,(H,19,21)(H,20,23)/t13-,14-/m0/s1
InChIKey
LFRFWMCLWQNBFR-KBPBESRZSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Fraction Csp3
0.83
Rotatable bonds
8
H-bond acceptors
5
H-bond donors
2
Molar refractivity
96.01
TPSA
93.73

LogP / Solubility

WLOGP
2.63
MLOGP
2.33
XLogP3
3.6
Consensus LogP
2.85
Log S (ESOL)
-3.19
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.4
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.13
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
Yes
Log Kp (skin permeation)
-3.04

Drug-likeness / Medicinal Chemistry

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

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