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CAS 133970-31-7 N-(9-Fluorenylmethyloxycarbonyl)-N’-(2-chlorobenzyloxycarbonyl)-L-lysine molecular structure lightbox
CAS RN: 133970-31-7

N-(9-Fluorenylmethyloxycarbonyl)-N’-(2-chlorobenzyloxycarbonyl)-L-lysine

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250211 5g / 25g Out of stock 8-10 business days Inquiry
  • Product code: SSC-041113
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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: 10g
  • 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 133970-31-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ＞97% 0 Out of Stock Beijing Inquiry

133970-31-7 / (2S)-6-[(2-chlorophenyl)methoxycarbonylamino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid

Standard CAS: 133970-31-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
133970-31-7
Multi CAS
No
Molecular Formula
C29H29ClN2O6
Molecular Weight
537.000000
Exact Mass
536.171414
SMILES
C1=CC=C(C(=C1)COC(=O)NCCCC[C@@H](C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)Cl
InChI
InChI=1S/C29H29ClN2O6/c30-25-14-6-1-9-19(25)17-37-28(35)31-16-8-7-15-26(27(33)34)32-29(36)38-18-24-22-12-4-2-10-20(22)21-11-3-5-13-23(21)24/h1-6,9-14,24,26H,7-8,15-18H2,(H,31,35)(H,32,36)(H,33,34)/t26-/m0/s1
InChIKey
VUEYAXRHPZGZOL-SANMLTNESA-N

Computed Properties

Structural Parameters

Heavy atom count
38
Aromatic heavy atom count
18
Fraction Csp3
0.28
Rotatable bonds
11
H-bond acceptors
5
H-bond donors
3
Molar refractivity
143.12
TPSA
113.96

LogP / Solubility

WLOGP
5.73
MLOGP
5.08
XLogP3
5.6
Consensus LogP
5.47
Log S (ESOL)
-6.4
Class (ESOL)
Insoluble
Log S (Ali)
-8.1
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.23
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)
-1.93

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
5

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