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CAS 50305-43-6 BOC-HIS(Z)-OH molecular structure lightbox
CAS RN: 50305-43-6

BOC-HIS(Z)-OH

  • Product code: SSC-156760
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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: 25g
  • Available purity: ＞97%
  • 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 50305-43-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Shanghai Inquiry

50305-43-6 / 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1-phenylmethoxycarbonylimidazol-4-yl)propanoic acid

Standard CAS: 50305-43-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
50305-43-6
Multi CAS
Yes
Molecular Formula
C19H23N3O6
Molecular Weight
389.400000
Exact Mass
389.158685
InChI
InChI=1S/C19H23N3O6/c1-19(2,3)28-17(25)21-15(16(23)24)9-14-10-22(12-20-14)18(26)27-11-13-7-5-4-6-8-13/h4-8,10,12,15H,9,11H2,1-3H3,(H,21,25)(H,23,24)/t15-/m0/s1
InChIKey
NKTFPUKOHGSCSS-HNNXBMFYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
11
Fraction Csp3
0.37
Rotatable bonds
6
H-bond acceptors
7
H-bond donors
2
Molar refractivity
98.75
TPSA
119.75

LogP / Solubility

WLOGP
2.59
MLOGP
2.3
XLogP3
2.4
Consensus LogP
2.43
Log S (ESOL)
-3.78
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.62
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.06
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.26

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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