[email protected]
CAS 88777-57-5 2-ThiophenecarboxaMide, 5-chloro-N,N-diMethyl- molecular structure lightbox
CAS RN: 88777-57-5

2-ThiophenecarboxaMide, 5-chloro-N,N-diMethyl-

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260518 25mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS88777-57-5
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

88777-57-5 / 5-chloro-N,N-dimethylthiophene-2-carboxamide

Standard CAS: 88777-57-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
88777-57-5
Multi CAS
No
Molecular Formula
C7H8CLNOS
Molecular Weight
189.660000
Exact Mass
189.001513
InChI
InChI=1S/C7H8ClNOS/c1-9(2)7(10)5-3-4-6(8)11-5/h3-4H,1-2H3
InChIKey
CDISMUAEFLKTDV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.29
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
47.35
TPSA
20.31

LogP / Solubility

WLOGP
2.1
MLOGP
1.85
XLogP3
2.4
Consensus LogP
2.12
Log S (ESOL)
-2.61
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.63
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.76
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.38

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us