[email protected]
CAS 1416872-50-8 SF7-AM 95% (HPLC) molecular structure lightbox
CAS RN: 1416872-50-8

SF7-AM 95% (HPLC)

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260504 1mg In stock Shanghai Inquiry
  • Product code: starshine_CAS1416872-50-8
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1416872-50-8 / acetyloxymethyl 2-[[2-(acetyloxymethoxy)-2-oxoethyl]-(3',6'-diazido-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carbonyl)amino]acetate

Standard CAS: 1416872-50-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1416872-50-8
Multi CAS
No
Molecular Formula
C31H23N7O12
Molecular Weight
685.600000
Exact Mass
685.140469
SMILES
CC(=O)OCOC(=O)CN(CC(=O)OCOC(=O)C)C(=O)C1=CC2=C(C=C1)C3(C4=C(C=C(C=C4)N=[N+]=[N-])OC5=C3C=CC(=C5)N=[N+]=[N-])OC2=O
InChI
InChI=1S/C31H23N7O12/c1-16(39)45-14-47-27(41)12-38(13-28(42)48-15-46-17(2)40)29(43)18-3-6-22-21(9-18)30(44)50-31(22)23-7-4-19(34-36-32)10-25(23)49-26-11-20(35-37-33)5-8-24(26)31/h3-11H,12-15H2,1-2H3
InChIKey
QIAZHSBWGCYJGQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
50
Aromatic heavy atom count
18
Fraction Csp3
0.23
Rotatable bonds
11
H-bond acceptors
14
Molar refractivity
163.66
TPSA
258.56

LogP / Solubility

WLOGP
4.71
MLOGP
4.2
XLogP3
5.3
Consensus LogP
4.74
Log S (ESOL)
-6.6
Class (ESOL)
Insoluble
Log S (Ali)
-8.58
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.34
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
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)
-3.56

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us