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CAS 31687-58-8 BOC-HIS(BOC)-OH DCHA molecular structure lightbox
CAS RN: 31687-58-8

BOC-HIS(BOC)-OH DCHA

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260222 1g / 5g / 25g / 100g / 500g Confirm by inquiry Shandong, Shanghai 5-7 business days Inquiry
  • Product code: SSC-137102
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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: 100g
  • 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 31687-58-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g >95% 0 Out of Stock Shenzhen Inquiry

31687-58-8 / N-cyclohexylcyclohexanamine;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]imidazol-4-yl]propanoic acid

Standard CAS: 31687-58-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
31687-58-8
Multi CAS
Yes
Molecular Formula
C28H48N4O6
Molecular Weight
536.700000
Exact Mass
536.357385
InChI
InChI=1S/C16H25N3O6.C12H23N/c1-15(2,3)24-13(22)18-11(12(20)21)7-10-8-19(9-17-10)14(23)25-16(4,5)6;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h8-9,11H,7H2,1-6H3,(H,18,22)(H,20,21);11-13H,1-10H2/t11-;/m0./s1
InChIKey
WBGMQHNUPJENDC-MERQFXBCSA-N

Computed Properties

Structural Parameters

Heavy atom count
38
Aromatic heavy atom count
5
Fraction Csp3
0.79
Rotatable bonds
6
H-bond acceptors
8
H-bond donors
3
Molar refractivity
145.24
TPSA
131.78

LogP / Solubility

WLOGP
5.43
MLOGP
4.82
XLogP3
5.43
Consensus LogP
5.23
Log S (ESOL)
-6.29
Class (ESOL)
Insoluble
Log S (Ali)
-7.88
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.37
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.14

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
4.5

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