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CAS 77826-55-2 N,N’-DI-BOC-(L)-CYSTINE-DIMETHYL ESTER molecular structure lightbox
CAS RN: 77826-55-2

N,N’-DI-BOC-(L)-CYSTINE-DIMETHYL ESTER

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260414 250mg / 1g / 5g Confirm by inquiry Shanghai 5-7 business days Inquiry
  • Product code: SSC-187348
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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 77826-55-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

77826-55-2 / methyl 3-[[3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]disulfanyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Standard CAS: 77826-55-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
77826-55-2
Multi CAS
Yes
Molecular Formula
C18H32N2O8S2
Molecular Weight
468.600000
Exact Mass
468.160008
InChI
InChI=1S/C18H32N2O8S2/c1-17(2,3)27-15(23)19-11(13(21)25-7)9-29-30-10-12(14(22)26-8)20-16(24)28-18(4,5)6/h11-12H,9-10H2,1-8H3,(H,19,23)(H,20,24)/t11-,12-/m0/s1
InChIKey
YYJNNBRJCNKRNJ-RYUDHWBXSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Fraction Csp3
0.78
Rotatable bonds
9
H-bond acceptors
10
H-bond donors
2
Molar refractivity
115.26
TPSA
129.26

LogP / Solubility

WLOGP
2.5
MLOGP
2.23
XLogP3
2.2
Consensus LogP
2.31
Log S (ESOL)
-3.73
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.21
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.86
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.8

Drug-likeness / Medicinal Chemistry

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

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