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CAS 21947-97-7 Boc-Cys(Dpm)-OH molecular structure lightbox
CAS RN: 21947-97-7

Boc-Cys(Dpm)-OH

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250104 250mg / 1g / 5g / 10g / 25g Out of stock 5-7 business days Inquiry
  • Product code: SSC-105552
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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: ≥95%
  • 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 21947-97-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

21947-97-7 / (2R)-3-benzhydrylsulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Standard CAS: 21947-97-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
21947-97-7
Multi CAS
No
Molecular Formula
C21H25NO4S
Molecular Weight
387.500000
Exact Mass
387.150429
SMILES
CC(C)(C)OC(=O)N[C@@H](CSC(C1=CC=CC=C1)C2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C21H25NO4S/c1-21(2,3)26-20(25)22-17(19(23)24)14-27-18(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13,17-18H,14H2,1-3H3,(H,22,25)(H,23,24)/t17-/m0/s1
InChIKey
AMTHPOXIVDHMLZ-KRWDZBQOSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
12
Fraction Csp3
0.33
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
2
Molar refractivity
107.98
TPSA
75.63

LogP / Solubility

WLOGP
4.49
MLOGP
3.97
XLogP3
4.4
Consensus LogP
4.29
Log S (ESOL)
-4.94
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.98
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.74
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.9

Drug-likeness / Medicinal Chemistry

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

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