[email protected]
CAS 117106-21-5 BOC-L-2,4-DIAMINOBUTYRIC ACID(FMOC) molecular structure lightbox
CAS RN: 117106-21-5

BOC-L-2,4-DIAMINOBUTYRIC ACID(FMOC)

Product Availability

Choose a grade to view its available package options.

3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20251228 1g In stock Inquiry
Batchno.20250203 250mg In stock Inquiry
Batchno.20260210 5g Out of stock Inquiry
  • Product code: SSC-016947
GET A QUOTE
Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 10g, 25g, 1g, 5g, 100g
  • Available purity: >97%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 117106-21-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g >97% 5 In Stock Shenzhen Inquiry
25g >97% 5 In Stock Beijing Inquiry
1g >97% 3 In Stock Hong Kong Inquiry
5g >97% 2 In Stock Beijing Inquiry
100g >97% 0 Out of Stock Hong Kong Inquiry

117106-21-5 / (2S)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid

Boc-Dab(Fmoc)-OH | MFCD00236845 | (2S)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid

Standard CAS: 117106-21-5 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
117106-21-5
Multi CAS
Yes
Molecular Formula
C24H28N2O6
Molecular Weight
440.500000
Exact Mass
440.194737
SMILES
CC(C)(C)OC(=O)N[C@@H](CCNC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)C(=O)O
InChI
InChI=1S/C24H28N2O6/c1-24(2,3)32-23(30)26-20(21(27)28)12-13-25-22(29)31-14-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-11,19-20H,12-14H2,1-3H3,(H,25,29)(H,26,30)(H,27,28)/t20-/m0/s1
InChIKey
MJZDTTZGQUEOBL-FQEVSTJZSA-N
Synonyms
Boc-Dab(Fmoc)-OH MFCD00236845 (2S)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid Boc-L-2,4-Diaminobutyric acid(Fmoc) Butanoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-4-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (2S)-

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
12
Fraction Csp3
0.38
Rotatable bonds
7
H-bond acceptors
5
H-bond donors
3
Molar refractivity
118.48
TPSA
113.96

LogP / Solubility

WLOGP
3.89
MLOGP
3.45
XLogP3
3.7
Consensus LogP
3.68
Log S (ESOL)
-4.84
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.98
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.59
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.64

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us