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CAS 264273-08-7 (S)-FMOC-4-AMINO-2-CARBOXYMETHYL-1,3,4,5-TETRAHYDRO-2H-[2]-BENZAZEPIN-3-ONE molecular structure lightbox
CAS RN: 264273-08-7

(S)-FMOC-4-AMINO-2-CARBOXYMETHYL-1,3,4,5-TETRAHYDRO-2H-[2]-BENZAZEPIN-3-ONE

  • Product code: SSC-124158
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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
  • 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 264273-08-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 0 Out of Stock Beijing Inquiry
0.25g >95% 0 Out of Stock Hong Kong Inquiry
1g >95% 0 Out of Stock Shenzhen Inquiry

264273-08-7 / 2-[(4S)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-3-oxo-4,5-dihydro-1H-2-benzazepin-2-yl]acetic acid

Standard CAS: 264273-08-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
264273-08-7
Multi CAS
Yes
Molecular Formula
C27H24N2O5
Molecular Weight
456.500000
Exact Mass
456.168522
InChI
InChI=1S/C27H24N2O5/c30-25(31)15-29-14-18-8-2-1-7-17(18)13-24(26(29)32)28-27(33)34-16-23-21-11-5-3-9-19(21)20-10-4-6-12-22(20)23/h1-12,23-24H,13-16H2,(H,28,33)(H,30,31)/t24-/m0/s1
InChIKey
RPAHAHMAXJASPS-DEOSSOPVSA-N

Computed Properties

Structural Parameters

Heavy atom count
34
Aromatic heavy atom count
18
Fraction Csp3
0.22
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
2
Molar refractivity
125.19
TPSA
95.94

LogP / Solubility

WLOGP
3.56
MLOGP
3.17
XLogP3
3.7
Consensus LogP
3.48
Log S (ESOL)
-4.98
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.88
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.18
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.97

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4

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