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CAS 99310-01-7 N-Boc-N’-benzyloxymethyl-L-histidine molecular structure lightbox
CAS RN: 99310-01-7

N-Boc-N’-benzyloxymethyl-L-histidine

  • Product code: SSC-213083
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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: ＞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 99310-01-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

99310-01-7 / 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[3-(phenylmethoxymethyl)imidazol-4-yl]propanoic acid

Standard CAS: 99310-01-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
99310-01-7
Multi CAS
Yes
Molecular Formula
C19H25N3O5
Molecular Weight
375.400000
Exact Mass
375.179421
InChI
InChI=1S/C19H25N3O5/c1-19(2,3)27-18(25)21-16(17(23)24)9-15-10-20-12-22(15)13-26-11-14-7-5-4-6-8-14/h4-8,10,12,16H,9,11,13H2,1-3H3,(H,21,25)(H,23,24)/t16-/m1/s1
InChIKey
LPVKZCHCZSFTOJ-MRXNPFEDSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
11
Fraction Csp3
0.42
Rotatable bonds
8
H-bond acceptors
6
H-bond donors
2
Molar refractivity
97.96
TPSA
102.68

LogP / Solubility

WLOGP
2.58
MLOGP
2.29
XLogP3
2
Consensus LogP
2.29
Log S (ESOL)
-3.57
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.5
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.2
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)
-3.18

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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