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CAS 65057-34-3 BOC-HIS(TOS)-OH DCHA molecular structure lightbox
CAS RN: 65057-34-3

BOC-HIS(TOS)-OH DCHA

Product Availability

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4 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251030 100g In stock Inquiry
Batchno.20250421 25g In stock Inquiry
Batchno.20251113 5g In stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260403 5g / 25g / 100g Out of stock 5-7 business days Inquiry
  • Product code: SSC-174708
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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: 5g
  • 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 65057-34-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >97% 0 Out of Stock Beijing Inquiry

65057-34-3 / N-cyclohexylcyclohexanamine;(2S)-3-[1-(4-methylphenyl)sulfonylimidazol-4-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Standard CAS: 65057-34-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
65057-34-3
Multi CAS
Yes
Molecular Formula
C30H46N4O6S
Molecular Weight
590.800000
Exact Mass
590.313806
InChI
InChI=1S/C18H23N3O6S.C12H23N/c1-12-5-7-14(8-6-12)28(25,26)21-10-13(19-11-21)9-15(16(22)23)20-17(24)27-18(2,3)4;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h5-8,10-11,15H,9H2,1-4H3,(H,20,24)(H,22,23);11-13H,1-10H2/t15-;/m0./s1
InChIKey
RNRUVXUHYUOWJW-RSAXXLAASA-N

Computed Properties

Structural Parameters

Heavy atom count
41
Aromatic heavy atom count
11
Fraction Csp3
0.63
Rotatable bonds
8
H-bond acceptors
8
H-bond donors
3
Molar refractivity
157.37
TPSA
139.62

LogP / Solubility

WLOGP
5.19
MLOGP
4.61
XLogP3
5.19
Consensus LogP
5
Log S (ESOL)
-6.44
Class (ESOL)
Insoluble
Log S (Ali)
-8.15
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.77
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.64

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
5

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