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CAS 104010-92-6 D,L-N,N’-Di-tert-butoxycarbonyl-2,3-diaminopropionic acid molecular structure lightbox
CAS RN: 104010-92-6

D,L-N,N’-Di-tert-butoxycarbonyl-2,3-diaminopropionic acid

  • Product code: SSC-005780
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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: 5g
  • 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 104010-92-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

104010-92-6 / 2,3-bis[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Boc-L-dpa(boc)-OH | (S)-2,3-Bis((tert-butoxycarbonyl)amino)propanoic acid | 3-N-Boc-amino-N-Boc-L-alanine

Standard CAS: 104010-92-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
104010-92-6
Multi CAS
Yes
Molecular Formula
C13H24N2O6
Molecular Weight
304.340000
Exact Mass
304.163436
SMILES
CC(C)(C)OC(=O)NCC(C(=O)O)NC(=O)OC(C)(C)C
InChI
InChI=1S/C13H24N2O6/c1-12(2,3)20-10(18)14-7-8(9(16)17)15-11(19)21-13(4,5)6/h8H,7H2,1-6H3,(H,14,18)(H,15,19)(H,16,17)
InChIKey
UDZLUXXCXDIIOK-UHFFFAOYSA-N
Synonyms
Boc-L-dpa(boc)-OH (S)-2,3-Bis((tert-butoxycarbonyl)amino)propanoic acid 3-N-Boc-amino-N-Boc-L-alanine MFCD00144826 D,L-N,N'-Di-tert-butoxycarbonyl-2,3-diaminopropionic acid

Computed Properties

Structural Parameters

Heavy atom count
21
Fraction Csp3
0.77
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
3
Molar refractivity
75.03
TPSA
113.96

LogP / Solubility

WLOGP
1.49
MLOGP
1.32
XLogP3
1.3
Consensus LogP
1.37
Log S (ESOL)
-2.4
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.13
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.35
Class (SILICOS-IT)
Poorly 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
No
Log Kp (skin permeation)
-3.52

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3

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