![CAS 1823372-30-0 4-Chloro-6-iodo-5-methylthieno[2,3-d]pyrimidine molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/1823372-30-0.png)
CAS RN: 1823372-30-0
4-Chloro-6-iodo-5-methylthieno[2,3-d]pyrimidine
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260520 | 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: LINC900139
1823372-30-0 / 4-chloro-6-iodo-5-methylthieno[2,3-d]pyrimidine
Basic Information
CAS
1823372-30-0
Multi CAS
No
Molecular Formula
C7H4ClIN2S
Molecular Weight
310.540000
Exact Mass
309.882840
SMILES
CC1=C(SC2=C1C(=NC=N2)Cl)I
InChI
InChI=1S/C7H4ClIN2S/c1-3-4-5(8)10-2-11-7(4)12-6(3)9/h2H,1H3
InChIKey
USZQKEUGHQKFAR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.14
H-bond acceptors
3
Molar refractivity
59.88
TPSA
25.78
LogP / Solubility
WLOGP
3.26
MLOGP
2.88
XLogP3
3.6
Consensus LogP
3.25
Log S (ESOL)
-4.37
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.46
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.38
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.3
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
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
![CAS 552295-08-6 4-Chloro-6-iodothieno[2,3-d]pyrimidine molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/552295-08-6.png)
