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CAS 112380-10-6 FMOC-HIS(TOS)-OH molecular structure lightbox
CAS RN: 112380-10-6

FMOC-HIS(TOS)-OH

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250917 1g / 5g / 10g Out of stock 5-7 business days Inquiry
  • Product code: SSC-012820
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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 112380-10-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Shenzhen Inquiry

112380-10-6 / (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[1-(4-methylphenyl)sulfonylimidazol-4-yl]propanoic acid

(2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-[1-(4-methylbenzenesulfonyl)-1H-imidazol-4-yl]propanoic acid | Nalpha-Fmoc-N(im)-tosyl-L-histidine | Na-Fmoc-Nim-4-toluenesylfonyl-L-histidine

Standard CAS: 112380-10-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
112380-10-6
Multi CAS
Yes
Molecular Formula
C28H25N3O6S
Molecular Weight
531.600000
Exact Mass
531.146407
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N2C=C(N=C2)C[C@@H](C(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C28H25N3O6S/c1-18-10-12-20(13-11-18)38(35,36)31-15-19(29-17-31)14-26(27(32)33)30-28(34)37-16-25-23-8-4-2-6-21(23)22-7-3-5-9-24(22)25/h2-13,15,17,25-26H,14,16H2,1H3,(H,30,34)(H,32,33)/t26-/m0/s1
InChIKey
PHAKSHNECOECCD-SANMLTNESA-N
Synonyms
(2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-[1-(4-methylbenzenesulfonyl)-1H-imidazol-4-yl]propanoic acid Nalpha-Fmoc-N(im)-tosyl-L-histidine Na-Fmoc-Nim-4-toluenesylfonyl-L-histidine DB-041082 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[1-(p-tolylsulfonyl)imidazol-4-yl]propanoic acid

Computed Properties

Structural Parameters

Heavy atom count
38
Aromatic heavy atom count
23
Fraction Csp3
0.18
Rotatable bonds
8
H-bond acceptors
7
H-bond donors
2
Molar refractivity
139.32
TPSA
127.59

LogP / Solubility

WLOGP
3.96
MLOGP
3.53
XLogP3
4.4
Consensus LogP
3.96
Log S (ESOL)
-5.55
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.78
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.36
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
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)
-3.15

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5.5

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