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CAS 88743-98-0 (S)-2-((S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-4-methylpentanoic acid molecular structure lightbox
CAS RN: 88743-98-0

(S)-2-((S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-4-methylpentanoic acid

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250104 250mg / 1g / 5g / 25g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-200294
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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 88743-98-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Hong Kong Inquiry

88743-98-0 / (2S)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoyl]amino]-4-methylpentanoic acid

Standard CAS: 88743-98-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
88743-98-0
Multi CAS
Yes
Molecular Formula
C27H34N2O5
Molecular Weight
466.600000
Exact Mass
466.246772
InChI
InChI=1S/C27H34N2O5/c1-16(2)13-23(25(30)28-24(26(31)32)14-17(3)4)29-27(33)34-15-22-20-11-7-5-9-18(20)19-10-6-8-12-21(19)22/h5-12,16-17,22-24H,13-15H2,1-4H3,(H,28,30)(H,29,33)(H,31,32)/t23-,24-/m0/s1
InChIKey
OLBBXRXTYWLDPL-ZEQRLZLVSA-N

Computed Properties

Structural Parameters

Heavy atom count
34
Aromatic heavy atom count
12
Fraction Csp3
0.44
Rotatable bonds
10
H-bond acceptors
4
H-bond donors
3
Molar refractivity
130.47
TPSA
104.73

LogP / Solubility

WLOGP
4.56
MLOGP
4.04
XLogP3
5.4
Consensus LogP
4.67
Log S (ESOL)
-5.2
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.67
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.67
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.33

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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