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CAS 25129-20-8 N,N’-DIBENZOYL-L-CYSTINE molecular structure lightbox
CAS RN: 25129-20-8

N,N’-DIBENZOYL-L-CYSTINE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251119 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-120716
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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: ＞97%
  • 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 25129-20-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

25129-20-8 / 2-benzamido-3-[(2-benzamido-2-carboxyethyl)disulfanyl]propanoic acid

Standard CAS: 25129-20-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
25129-20-8
Multi CAS
No
Molecular Formula
C20H20N2O6S2
Molecular Weight
448.500000
Exact Mass
448.076279
SMILES
C1=CC=C(C=C1)C(=O)NC(CSSCC(C(=O)O)NC(=O)C2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C20H20N2O6S2/c23-17(13-7-3-1-4-8-13)21-15(19(25)26)11-29-30-12-16(20(27)28)22-18(24)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2,(H,21,23)(H,22,24)(H,25,26)(H,27,28)
InChIKey
GUTXMPQWQSOAIY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
12
Fraction Csp3
0.2
Rotatable bonds
11
H-bond acceptors
6
H-bond donors
4
Molar refractivity
115.58
TPSA
132.8

LogP / Solubility

WLOGP
2.13
MLOGP
1.91
XLogP3
2.1
Consensus LogP
2.05
Log S (ESOL)
-3.54
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.78
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.67
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.94

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

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