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CAS 1068435-19-7 2-(((9H-fluoren-9-yl)methoxy)carbonylamino)-2-(pent-4-enyl)hept-6-enoic acid molecular structure lightbox
CAS RN: 1068435-19-7

2-(((9H-fluoren-9-yl)methoxy)carbonylamino)-2-(pent-4-enyl)hept-6-enoic acid

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250619 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-008335
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g, 10g
  • Available purity: >95%
  • Inventory rows with stock: 5
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1068435-19-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 5 In Stock Shenzhen Inquiry
0.25g >95% 5 In Stock Hong Kong Inquiry
1g >95% 2 In Stock Beijing Inquiry
5g >95% 1 In Stock Hong Kong Inquiry
10g >95% 1 In Stock Beijing Inquiry

1068435-19-7 / 2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-pent-4-enylhept-6-enoic acid

2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-2-(pent-4-en-1-yl)hept-6-enoic acid | DTXSID20678866 | 2-({[(9H-Fluoren-9-yl)methoxy]carbonyl}amino)-2-(pent-4-en-1-yl)hept-6-enoic acid

Standard CAS: 1068435-19-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1068435-19-7
Multi CAS
Yes
Molecular Formula
C27H31NO4
Molecular Weight
433.500000
Exact Mass
433.225308
SMILES
C=CCCCC(CCCC=C)(C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C27H31NO4/c1-3-5-11-17-27(25(29)30,18-12-6-4-2)28-26(31)32-19-24-22-15-9-7-13-20(22)21-14-8-10-16-23(21)24/h3-4,7-10,13-16,24H,1-2,5-6,11-12,17-19H2,(H,28,31)(H,29,30)
InChIKey
AXHUVDDCLKLLFC-UHFFFAOYSA-N
Synonyms
2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-2-(pent-4-en-1-yl)hept-6-enoic acid DTXSID20678866 2-({[(9H-Fluoren-9-yl)methoxy]carbonyl}amino)-2-(pent-4-en-1-yl)hept-6-enoic acid RefChem:1060422 DTXCID60629615

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
12
Fraction Csp3
0.33
Rotatable bonds
12
H-bond acceptors
3
H-bond donors
2
Molar refractivity
126.67
TPSA
75.63

LogP / Solubility

WLOGP
6.06
MLOGP
5.36
XLogP3
6.1
Consensus LogP
5.84
Log S (ESOL)
-5.83
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.49
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.95
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.06

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
2.5

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