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CAS 113231-04-2 N6-Carbobenzyloxy-N2,N2-bis(carboxymethyl)-L-lysine molecular structure lightbox
CAS RN: 113231-04-2

N6-Carbobenzyloxy-N2,N2-bis(carboxymethyl)-L-lysine

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260515 100mg / 250mg / 1g Confirm by inquiry Shanghai, Shandong 8-10 business days Inquiry
  • Product code: SSC-013403
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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: 0.1g, 1g, 5g, 0.25g
  • Available purity: ≥95%
  • 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 113231-04-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 5 In Stock Shanghai Inquiry
1g ≥95% 5 In Stock Hong Kong Inquiry
5g ≥95% 3 In Stock Shenzhen Inquiry
0.25g ≥95% 1 In Stock Shenzhen Inquiry

113231-04-2 / (2S)-2-[bis(carboxymethyl)amino]-6-(phenylmethoxycarbonylamino)hexanoic acid

DSSeb | DTXSID90392406 | RefChem:1084004

Standard CAS: 113231-04-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
113231-04-2
Multi CAS
Yes
Molecular Formula
C18H24N2O8
Molecular Weight
396.400000
Exact Mass
396.153266
SMILES
C1=CC=C(C=C1)COC(=O)NCCCC[C@@H](C(=O)O)N(CC(=O)O)CC(=O)O
InChI
InChI=1S/C18H24N2O8/c21-15(22)10-20(11-16(23)24)14(17(25)26)8-4-5-9-19-18(27)28-12-13-6-2-1-3-7-13/h1-3,6-7,14H,4-5,8-12H2,(H,19,27)(H,21,22)(H,23,24)(H,25,26)/t14-/m0/s1
InChIKey
RKSASMXBVVMAAS-AWEZNQCLSA-N
Synonyms
DSSeb DTXSID90392406 RefChem:1084004 DTXCID00343267 Disuccinimidyl Sebacate

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
6
Fraction Csp3
0.44
Rotatable bonds
13
H-bond acceptors
6
H-bond donors
4
Molar refractivity
96.75
TPSA
153.47

LogP / Solubility

WLOGP
1.01
MLOGP
0.91
XLogP3
-0.9
Consensus LogP
0.34
Log S (ESOL)
-2.23
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.54
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.63
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
Low
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)
-4.42

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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