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CAS 176637-10-8 8-Chloro-2-(methylthio)pyrimido[5,4-d]pyrimidine molecular structure lightbox
CAS RN: 176637-10-8

8-Chloro-2-(methylthio)pyrimido[5,4-d]pyrimidine

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250630 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-077319
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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, 0.25g, 10g, 0.1g, 5g, 25g, 100g, 1000g
  • Available purity: ≥95%
  • Inventory rows with stock: 12
  • 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 176637-10-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g -- 5 In Stock Shenzhen Inquiry
1g ≥95% 5 In Stock Shenzhen Inquiry
0.25g -- 3 In Stock Shenzhen Inquiry
0.25g ≥95% 3 In Stock Beijing Inquiry
10g -- 3 In Stock Shanghai Inquiry
10g ≥95% 3 In Stock Shanghai Inquiry
0.1g -- 2 In Stock Shanghai Inquiry
0.1g ≥95% 2 In Stock Hong Kong Inquiry
5g ≥95% 2 In Stock Hong Kong Inquiry
25g ≥95% 2 In Stock Shanghai Inquiry
5g -- 1 In Stock Shenzhen Inquiry
25g -- 1 In Stock Shenzhen Inquiry
100g ≥95% 0 Out of Stock Beijing Inquiry
1000g -- 0 Out of Stock Beijing Inquiry

176637-10-8 / 4-chloro-6-methylsulfanylpyrimido[5,4-d]pyrimidine

Standard CAS: 176637-10-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
176637-10-8
Multi CAS
No
Molecular Formula
C7H5ClN4S
Molecular Weight
212.660000
Exact Mass
211.992345
SMILES
CSC1=NC=C2C(=N1)C(=NC=N2)Cl
InChI
InChI=1S/C7H5ClN4S/c1-13-7-9-2-4-5(12-7)6(8)11-3-10-4/h2-3H,1H3
InChIKey
YBAUXEUJXJTKCH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
10
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
51.92
TPSA
51.56

LogP / Solubility

WLOGP
1.8
MLOGP
1.58
XLogP3
1.7
Consensus LogP
1.69
Log S (ESOL)
-2.79
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.6
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.65
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.74

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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