[email protected]
CAS 1315629-79-8 ATV-FX1 sodiuM salt molecular structure lightbox
CAS RN: 1315629-79-8

ATV-FX1 sodiuM salt

Product Availability

Choose a grade to view its available package options.

2 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260125 1mg In stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260321 1mg / 5mg / 10mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1315629-79-8
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1315629-79-8 / sodium 4-[1-(4-fluorophenyl)-5-hydroxy-2-phenyl-4-(phenylcarbamoyl)-5-propan-2-yl-3,10-dioxa-6-azatricyclo[4.4.0.02,4]decan-9-yl]-3-hydroxybutanoate

Standard CAS: 1315629-79-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1315629-79-8
Multi CAS
No
Molecular Formula
C33H34FN2NaO7
Molecular Weight
612.600000
Exact Mass
612.224774
SMILES
CC(C)C1(C2(C(O2)(C3(N1CCC(O3)CC(CC(=O)[O-])O)C4=CC=C(C=C4)F)C5=CC=CC=C5)C(=O)NC6=CC=CC=C6)O.[Na+]
InChI
InChI=1S/C33H35FN2O7.Na/c1-21(2)32(41)31(29(40)35-25-11-7-4-8-12-25)30(43-31,22-9-5-3-6-10-22)33(23-13-15-24(34)16-14-23)36(32)18-17-27(42-33)19-26(37)20-28(38)39;/h3-16,21,26-27,37,41H,17-20H2,1-2H3,(H,35,40)(H,38,39);/q;+1/p-1
InChIKey
SJDGRTRCGRODGR-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
44
Aromatic heavy atom count
18
Fraction Csp3
0.39
Rotatable bonds
9
H-bond acceptors
8
H-bond donors
3
Molar refractivity
151.32
TPSA
134.69

LogP / Solubility

WLOGP
-0.37
MLOGP
-0.28
XLogP3
-0.37
Consensus LogP
-0.34
Log S (ESOL)
-3.11
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.31
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.41
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.72

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
8.5

Safety & Transport

Pictogram(s)
Irritant Health Hazard
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H361 (100%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]
Precautionary Statement Codes
P203, P260, P261, P263, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P351+P338, P318, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us