[email protected]
CAS 1010120-59-8 Ethyl (6-BroMo-pyridin-2-ylaMino)carbonothioylcarbaMate molecular structure lightbox
CAS RN: 1010120-59-8

Ethyl (6-BroMo-pyridin-2-ylaMino)carbonothioylcarbaMate

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260602 25mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1010120-59-8
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1010120-59-8 / ethyl N-[(6-bromo-2-pyridinyl)carbamothioyl]carbamate

ethyl (6-Bromo-pyridin-2-ylamino)carbonothioylcarbamate | RefChem:593134 | 850-733-2

Standard CAS: 1010120-59-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1010120-59-8
Multi CAS
No
Molecular Formula
C9H10BrN3O2S
Molecular Weight
304.170000
Exact Mass
302.967710
SMILES
CCOC(=O)NC(=S)NC1=NC(=CC=C1)Br
InChI
InChI=1S/C9H10BrN3O2S/c1-2-15-9(14)13-8(16)12-7-5-3-4-6(10)11-7/h3-5H,2H2,1H3,(H2,11,12,13,14,16)
InChIKey
FKKRGXZJQLLGGN-UHFFFAOYSA-N
Synonyms
ethyl (6-Bromo-pyridin-2-ylamino)carbonothioylcarbamate RefChem:593134 850-733-2 ethyl N-[(6-bromopyridin-2-yl)carbamothioyl]carbamate MFCD19441934

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
68.32
TPSA
63.25

LogP / Solubility

WLOGP
2.29
MLOGP
2.03
XLogP3
2.9
Consensus LogP
2.41
Log S (ESOL)
-3.31
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.71
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.78
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.95

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 10 of 11 companies (only 9.1% companies provided GHS information). For more detailed information, please visit ECHA C&L website.

Customers Also Viewed

Get In Touch

Contact Us