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CAS 1094107-96-6 3-Oxo-3,4-dihydro-2h-1,4-benzothiazine-7-carboxylic Acid molecular structure lightbox
CAS RN: 1094107-96-6

3-Oxo-3,4-dihydro-2h-1,4-benzothiazine-7-carboxylic Acid

Product Availability

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4 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260317 100mg / 250mg Out of stock 15 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260611 100mg In stock Shanghai Inquiry
Batchno.20260225 1g In stock Shanghai Inquiry
Batchno.20250612 250mg In stock Shanghai Inquiry
  • Product code: SSC-010709
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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: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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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 1094107-96-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1094107-96-6 / 3-oxo-4H-1,4-benzothiazine-7-carboxylic acid

3-oxo-3,4-dihydro-2H-1,4-benzothiazine-7-carboxylic acid | RefChem:504669 | 979-405-8

Standard CAS: 1094107-96-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1094107-96-6
Multi CAS
No
Molecular Formula
C9H7NO3S
Molecular Weight
209.220000
Exact Mass
209.014664
SMILES
C1C(=O)NC2=C(S1)C=C(C=C2)C(=O)O
InChI
InChI=1S/C9H7NO3S/c11-8-4-14-7-3-5(9(12)13)1-2-6(7)10-8/h1-3H,4H2,(H,10,11)(H,12,13)
InChIKey
PMIQHWMFUZMWOX-UHFFFAOYSA-N
Synonyms
3-oxo-3,4-dihydro-2H-1,4-benzothiazine-7-carboxylic acid RefChem:504669 979-405-8 3-oxo-3,4-dihydro-2h-benzo[b][1,4]thiazine-7-carboxylic acid MFCD24484189

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
52.76
TPSA
66.4

LogP / Solubility

WLOGP
1.43
MLOGP
1.26
XLogP3
0.9
Consensus LogP
1.2
Log S (ESOL)
-2.29
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.31
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.33
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)
-2.98

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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