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CAS 866602-35-9 (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-[(2-methylpropan-2-yl)oxycarbonyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]hexanoic acid molecular structure lightbox
CAS RN: 866602-35-9

(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-[(2-methylpropan-2-yl)oxycarbonyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]hexanoic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251111 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-195883
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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 866602-35-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Beijing Inquiry

866602-35-9 / (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-[(2-methylpropan-2-yl)oxycarbonyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]hexanoic acid

Standard CAS: 866602-35-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
866602-35-9
Multi CAS
Yes
Molecular Formula
C32H42N2O8
Molecular Weight
582.700000
Exact Mass
582.294116
InChI
InChI=1S/C32H42N2O8/c1-31(2,3)41-27(35)19-34(30(39)42-32(4,5)6)18-12-11-17-26(28(36)37)33-29(38)40-20-25-23-15-9-7-13-21(23)22-14-8-10-16-24(22)25/h7-10,13-16,25-26H,11-12,17-20H2,1-6H3,(H,33,38)(H,36,37)/t26-/m0/s1
InChIKey
HTEFAZHHMAHYEP-SANMLTNESA-N

Computed Properties

Structural Parameters

Heavy atom count
42
Aromatic heavy atom count
12
Fraction Csp3
0.5
Rotatable bonds
11
H-bond acceptors
7
H-bond donors
2
Molar refractivity
157.13
TPSA
131.47

LogP / Solubility

WLOGP
5.73
MLOGP
5.09
XLogP3
5.5
Consensus LogP
5.44
Log S (ESOL)
-6.55
Class (ESOL)
Insoluble
Log S (Ali)
-8.47
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.52
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.21

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.56
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5

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