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CAS 20902-45-8 D-PENICILLAMINE DISULFIDE molecular structure lightbox
CAS RN: 20902-45-8

D-PENICILLAMINE DISULFIDE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250206 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-098471
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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: 0.1g, 0.25g, 1g, 5g
  • Available purity: >98%
  • 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 20902-45-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >98% 0 Out of Stock Beijing Inquiry
0.25g >98% 0 Out of Stock Hong Kong Inquiry
1g >98% 0 Out of Stock Beijing Inquiry
5g >98% 0 Out of Stock Hong Kong Inquiry

20902-45-8 / (2S)-2-amino-3-[[(1S)-1-amino-1-carboxy-2-methylpropan-2-yl]disulfanyl]-3-methylbutanoic acid

Standard CAS: 20902-45-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
20902-45-8
Multi CAS
No
Molecular Formula
C10H20N2O4S2
Molecular Weight
296.400000
Exact Mass
296.086449
SMILES
CC(C)([C@H](C(=O)O)N)SSC(C)(C)[C@H](C(=O)O)N
InChI
InChI=1S/C10H20N2O4S2/c1-9(2,5(11)7(13)14)17-18-10(3,4)6(12)8(15)16/h5-6H,11-12H2,1-4H3,(H,13,14)(H,15,16)/t5-,6-/m0/s1
InChIKey
POYPKGFSZHXASD-WDSKDSINSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.8
Rotatable bonds
7
H-bond acceptors
6
H-bond donors
4
Molar refractivity
74.56
TPSA
126.64

LogP / Solubility

WLOGP
0.75
MLOGP
0.67
XLogP3
-5
Consensus LogP
-1.19
Log S (ESOL)
-1.69
Class (ESOL)
Soluble
Log S (Ali)
-2.53
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.05
Class (SILICOS-IT)
Poorly 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)
-4

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

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