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CAS 1052649-77-0 H-D-DAB(BOC)-OME HCL molecular structure lightbox
CAS RN: 1052649-77-0

H-D-DAB(BOC)-OME HCL

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260601 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-006998
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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 1052649-77-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1052649-77-0 / methyl (2R)-2-amino-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;hydrochloride

H-D-Dab(Boc)-Ome HCl | MFCD08275859 | (R)-Methyl 2-amino-4-((tert-butoxycarbonyl)amino)butanoate hydrochloride

Standard CAS: 1052649-77-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1052649-77-0
Multi CAS
Yes
Molecular Formula
C10H21ClN2O4
Molecular Weight
268.740000
Exact Mass
268.118985
SMILES
CC(C)(C)OC(=O)NCC[C@H](C(=O)OC)N.Cl
InChI
InChI=1S/C10H20N2O4.ClH/c1-10(2,3)16-9(14)12-6-5-7(11)8(13)15-4;/h7H,5-6,11H2,1-4H3,(H,12,14);1H/t7-;/m1./s1
InChIKey
XETISTBVDHNRBD-OGFXRTJISA-N
Synonyms
H-D-Dab(Boc)-Ome HCl MFCD08275859 (R)-Methyl 2-amino-4-((tert-butoxycarbonyl)amino)butanoate hydrochloride Methyl (R)-2-amino-4-((tert-butoxycarbonyl)amino)butanoate hydrochloride methyl (2R)-2-amino-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;hydrochloride

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.8
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
2
Molar refractivity
66.09
TPSA
90.65

LogP / Solubility

WLOGP
0.82
MLOGP
0.73
XLogP3
0.82
Consensus LogP
0.79
Log S (ESOL)
-1.76
Class (ESOL)
Soluble
Log S (Ali)
-2.36
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.57
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.77

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

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