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CAS 1135616-49-7 FMOC-ARG(ME,PBF)-OH molecular structure lightbox
CAS RN: 1135616-49-7

FMOC-ARG(ME,PBF)-OH

Product Availability

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4 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250409 100mg In stock Inquiry
Batchno.20260614 1g In stock Inquiry
Batchno.20251019 250mg In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250904 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: SSC-013662
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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: 0.1g, 0.25g, 1g, 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 1135616-49-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ＞97% 0 Out of Stock Hong Kong Inquiry
0.25g ＞97% 0 Out of Stock Shanghai Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry
5g ＞97% 0 Out of Stock Beijing Inquiry

1135616-49-7 / (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[[N'-methyl-N-[(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)sulfonyl]carbamimidoyl]amino]pentanoic acid

SCHEMBL12994498 | (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[[N\'-methyl-N-[(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)sulfonyl]carbamimidoyl]amino]pentanoic acid | N-|A-Fmoc-N-|O-methyl-N-|O?-(2,2,4,6,7-pentamethyldihydrobenzofuran-5-sulfonyl)-L-arginine

Standard CAS: 1135616-49-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1135616-49-7
Multi CAS
Yes
Molecular Formula
C35H42N4O7S
Molecular Weight
662.800000
Exact Mass
662.277421
SMILES
CC1=C(C(=C(C2=C1OC(C2)(C)C)C)S(=O)(=O)NC(=NC)NCCC[C@@H](C(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)C
InChI
InChI=1S/C35H42N4O7S/c1-20-21(2)31(22(3)27-18-35(4,5)46-30(20)27)47(43,44)39-33(36-6)37-17-11-16-29(32(40)41)38-34(42)45-19-28-25-14-9-7-12-23(25)24-13-8-10-15-26(24)28/h7-10,12-15,28-29H,11,16-19H2,1-6H3,(H,38,42)(H,40,41)(H2,36,37,39)/t29-/m0/s1
InChIKey
JAUPJPAADXVUGQ-LJAQVGFWSA-N
Synonyms
SCHEMBL12994498 (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[[N\'-methyl-N-[(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)sulfonyl]carbamimidoyl]amino]pentanoic acid N-|A-Fmoc-N-|O-methyl-N-|O?-(2,2,4,6,7-pentamethyldihydrobenzofuran-5-sulfonyl)-L-arginine

Computed Properties

Structural Parameters

Heavy atom count
47
Aromatic heavy atom count
18
Fraction Csp3
0.4
Rotatable bonds
10
H-bond acceptors
7
H-bond donors
4
Molar refractivity
179.61
TPSA
155.42

LogP / Solubility

WLOGP
4.95
MLOGP
4.41
XLogP3
5.6
Consensus LogP
4.99
Log S (ESOL)
-6.69
Class (ESOL)
Insoluble
Log S (Ali)
-8.57
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.28
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)
-3.25

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
5.5

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