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CAS 106306-57-4 BOC-BETA,BETA-DIMETHYL-D-CYS(MOB)-OH molecular structure lightbox
CAS RN: 106306-57-4

BOC-BETA,BETA-DIMETHYL-D-CYS(MOB)-OH

Product Availability

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4 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250107 1g In stock Inquiry
Batchno.20260314 250mg In stock Inquiry
Batchno.20250315 5g In stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250508 100mg / 500mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-008036
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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 106306-57-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

106306-57-4 / (2S)-3-[(4-methoxyphenyl)methylsulfanyl]-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid

Boc-beta,beta-dimethyl-Cys(Mob)-OH | Boc-S-4-Methoxybenzyl-D-penicillamine | SCHEMBL24106698

Standard CAS: 106306-57-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
106306-57-4
Multi CAS
Yes
Molecular Formula
C18H27NO5S
Molecular Weight
369.500000
Exact Mass
369.160994
SMILES
CC(C)(C)OC(=O)N[C@@H](C(=O)O)C(C)(C)SCC1=CC=C(C=C1)OC
InChI
InChI=1S/C18H27NO5S/c1-17(2,3)24-16(22)19-14(15(20)21)18(4,5)25-11-12-7-9-13(23-6)10-8-12/h7-10,14H,11H2,1-6H3,(H,19,22)(H,20,21)/t14-/m0/s1
InChIKey
NEUHEEDQLRFEIM-AWEZNQCLSA-N
Synonyms
Boc-beta,beta-dimethyl-Cys(Mob)-OH Boc-S-4-Methoxybenzyl-D-penicillamine SCHEMBL24106698 PD197288 2-(tert-butoxycarbonylamino)-3-[(4-methoxyphenyl)methylsulfanyl]-3-methyl-butanoic acid

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
7
H-bond acceptors
5
H-bond donors
2
Molar refractivity
99.16
TPSA
84.86

LogP / Solubility

WLOGP
3.68
MLOGP
3.26
XLogP3
3.3
Consensus LogP
3.41
Log S (ESOL)
-4.17
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.25
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.96
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)
-2.36

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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