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CAS 10381-75-6 8-Bromotheophylline molecular structure lightbox
CAS RN: 10381-75-6

8-Bromotheophylline

Product Availability

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3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250721 1g In stock Shanghai, Shandong Inquiry
Batchno.20250610 25g Out of stock 5-7 business days Inquiry
Batchno.20250108 5g In stock Shandong Inquiry
  • Product code: SSC-005416
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 0.1g, 5g, 10g, 0.25g, 25g
  • Available purity: ≥97%
  • Inventory rows with stock: 6
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 10381-75-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 5 In Stock Shenzhen Inquiry
0.1g ≥97% 2 In Stock Shanghai Inquiry
5g ≥97% 2 In Stock Hong Kong Inquiry
10g ≥97% 2 In Stock Beijing Inquiry
0.25g ≥97% 1 In Stock Shanghai Inquiry
25g ≥97% 1 In Stock Beijing Inquiry

10381-75-6 / 8-bromo-1,3-dimethyl-7H-purine-2,6-dione

Bromotheophylline | Theophylline, 8-bromo- | 1H-Purine-2,6-dione, 8-bromo-3,7-dihydro-1,3-dimethyl-

Standard CAS: 10381-75-6 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
10381-75-6
Multi CAS
Yes
Molecular Formula
C7H7BrN4O2
Molecular Weight
259.060000
Exact Mass
257.975240
SMILES
CN1C2=C(C(=O)N(C1=O)C)NC(=N2)Br
InChI
InChI=1S/C7H7BrN4O2/c1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14/h1-2H3,(H,9,10)
InChIKey
SKTFQHRVFFOHTQ-UHFFFAOYSA-N
Synonyms
Bromotheophylline Theophylline, 8-bromo- 1H-Purine-2,6-dione, 8-bromo-3,7-dihydro-1,3-dimethyl- UNII-FZG87K1MQ6 FZG87K1MQ6

Physical Properties

Melting Point
295-316 ºC
Boiling Point
Decomposes at 300 ºC

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.29
H-bond acceptors
5
H-bond donors
1
Molar refractivity
54.28
TPSA
72.68

LogP / Solubility

WLOGP
-0.28
MLOGP
-0.24
XLogP3
1
Consensus LogP
0.16
Log S (ESOL)
-1.75
Class (ESOL)
Soluble
Log S (Ali)
-1.48
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.11
Class (SILICOS-IT)
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)
-4.5

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
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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