[email protected]
CAS 161055-47-6 N1-Acetylsulfamethoxazol molecular structure lightbox
CAS RN: 161055-47-6

N1-Acetylsulfamethoxazol

Product Availability

Choose a grade to view its available package options.

4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250604 10mg In stock Inquiry
Batchno.20250115 25mg In stock Inquiry
Batchno.20250427 50mg In stock Inquiry
Batchno.20260623 5mg In stock Inquiry
  • Product code: SSC-068805
GET A QUOTE
Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 161055-47-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

161055-47-6 / (4S)-2-(6-amino-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid

Standard CAS: 161055-47-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
161055-47-6
Multi CAS
No
Molecular Formula
C11H9N3O2S2
Molecular Weight
279.300000
Exact Mass
279.013619
SMILES
C1[C@@H](N=C(S1)C2=NC3=C(S2)C=C(C=C3)N)C(=O)O
InChI
InChI=1S/C11H9N3O2S2/c12-5-1-2-6-8(3-5)18-10(13-6)9-14-7(4-17-9)11(15)16/h1-3,7H,4,12H2,(H,15,16)/t7-/m1/s1
InChIKey
HKSJKXOOBAVPKR-SSDOTTSWSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
9
Fraction Csp3
0.18
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
2
Molar refractivity
74.45
TPSA
88.57

LogP / Solubility

WLOGP
1.83
MLOGP
1.62
XLogP3
1.9
Consensus LogP
1.78
Log S (ESOL)
-2.96
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.17
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.23
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.13

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
2

Customers Also Viewed

Get In Touch

Contact Us