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CAS 98930-01-9 N-Fmoc-N’-(4-methoxy-2,3,6-trimethylbenzenesulfonyl)-L-arginine molecular structure lightbox
CAS RN: 98930-01-9

N-Fmoc-N’-(4-methoxy-2,3,6-trimethylbenzenesulfonyl)-L-arginine

  • Product code: SSC-212874
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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: ≥98%
  • 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 98930-01-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥98% 0 Out of Stock Shanghai Inquiry

98930-01-9 / (2S)-5-[[amino-[(4-methoxy-2,3,6-trimethylphenyl)sulfonylamino]methylidene]amino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid

Standard CAS: 98930-01-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
98930-01-9
Multi CAS
Yes
Molecular Formula
C31H36N4O7S
Molecular Weight
608.700000
Exact Mass
608.230471
InChI
InChI=1S/C31H36N4O7S/c1-18-16-27(41-4)19(2)20(3)28(18)43(39,40)35-30(32)33-15-9-14-26(29(36)37)34-31(38)42-17-25-23-12-7-5-10-21(23)22-11-6-8-13-24(22)25/h5-8,10-13,16,25-26H,9,14-15,17H2,1-4H3,(H,34,38)(H,36,37)(H3,32,33,35)/t26-/m0/s1
InChIKey
LKGHIEITYHYVED-SANMLTNESA-N

Computed Properties

Structural Parameters

Heavy atom count
43
Aromatic heavy atom count
18
Fraction Csp3
0.32
Rotatable bonds
11
H-bond acceptors
7
H-bond donors
4
Molar refractivity
162.88
TPSA
169.41

LogP / Solubility

WLOGP
3.99
MLOGP
3.56
XLogP3
4.4
Consensus LogP
3.98
Log S (ESOL)
-5.71
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.43
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.24
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)
-3.6

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5

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