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CAS 1301706-43-3 Boc-D-HoCys(trt)-OH molecular structure lightbox
CAS RN: 1301706-43-3

Boc-D-HoCys(trt)-OH

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251112 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-036849
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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 1301706-43-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Shenzhen Inquiry

1301706-43-3 / (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-tritylsulfanylbutanoic acid

Standard CAS: 1301706-43-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1301706-43-3
Multi CAS
No
Molecular Formula
C28H31NO4S
Molecular Weight
477.600000
Exact Mass
477.197380
SMILES
CC(C)(C)OC(=O)N[C@H](CCSC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)O
InChI
InChI=1S/C28H31NO4S/c1-27(2,3)33-26(32)29-24(25(30)31)19-20-34-28(21-13-7-4-8-14-21,22-15-9-5-10-16-22)23-17-11-6-12-18-23/h4-18,24H,19-20H2,1-3H3,(H,29,32)(H,30,31)/t24-/m1/s1
InChIKey
YBAYCOKLWMVUSV-XMMPIXPASA-N

Computed Properties

Structural Parameters

Heavy atom count
34
Aromatic heavy atom count
18
Fraction Csp3
0.29
Rotatable bonds
9
H-bond acceptors
4
H-bond donors
2
Molar refractivity
137.08
TPSA
75.63

LogP / Solubility

WLOGP
6.08
MLOGP
5.38
XLogP3
6.2
Consensus LogP
5.89
Log S (ESOL)
-6.43
Class (ESOL)
Insoluble
Log S (Ali)
-7.87
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.89
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
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)
-1.32

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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