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CAS 109010-60-8 S-ATBA molecular structure lightbox
CAS RN: 109010-60-8

S-ATBA

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260123 25g / 100g Out of stock 5-7 business days Inquiry
  • Product code: SSC-010203
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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: 5g, 1g, 10g, 25g, 100g
  • Available purity: >97%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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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 109010-60-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >97% 3 In Stock Beijing Inquiry
1g >97% 2 In Stock Hong Kong Inquiry
10g >97% 1 In Stock Shenzhen Inquiry
25g >97% 1 In Stock Beijing Inquiry
100g >97% 0 Out of Stock Beijing Inquiry

109010-60-8 / tert-butyl 2-[(3S)-3-amino-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetate

tert-butyl 2-[(3R)-3-amino-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetate | (3S)-3-AMINO-1-(TERT-BUTYLCARBOXYMETHYL)-2,3,4,5-TETRAHYDRO-1H-BENZAZEPIN-2-ONE | 2-((R)-3-Amino-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-1-yl)-3,3-dimethylbutanoic acid

Standard CAS: 109010-60-8 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
109010-60-8
Multi CAS
Yes
Molecular Formula
C16H22N2O3
Molecular Weight
290.360000
Exact Mass
290.163043
SMILES
CC(C)(C)OC(=O)CN1C2=CC=CC=C2CC[C@@H](C1=O)N
InChI
InChI=1S/C16H22N2O3/c1-16(2,3)21-14(19)10-18-13-7-5-4-6-11(13)8-9-12(17)15(18)20/h4-7,12H,8-10,17H2,1-3H3/t12-/m0/s1
InChIKey
QTEDVVHLTMELTB-LBPRGKRZSA-N
Synonyms
tert-butyl 2-[(3R)-3-amino-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetate (3S)-3-AMINO-1-(TERT-BUTYLCARBOXYMETHYL)-2,3,4,5-TETRAHYDRO-1H-BENZAZEPIN-2-ONE 2-((R)-3-Amino-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-1-yl)-3,3-dimethylbutanoic acid SCHEMBL10736517 SCHEMBL30044625

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
80.94
TPSA
72.63

LogP / Solubility

WLOGP
1.63
MLOGP
1.45
XLogP3
1.7
Consensus LogP
1.59
Log S (ESOL)
-2.75
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.12
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.14
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.33

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (33.3%): Causes skin irritation [Warning Skin corrosion/irritation] H317 (33.3%): May cause an allergic skin reaction [Warning Sensitization, Skin] H335 (33.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] Not Classified Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.
Precautionary Statement Codes
P261, P264, P271, P272, P280, P302+P352, P304+P340, P319, P321, P332+P317, P333+P317, P362+P364, P403+P233, P405, and P501

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