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CAS 1032758-44-3 Thieno[3,2-d]pyriMidine-6-Methanol, 2-chloro-7-Methyl-4-(4-Morpholinyl)- molecular structure lightbox
CAS RN: 1032758-44-3

Thieno[3,2-d]pyriMidine-6-Methanol, 2-chloro-7-Methyl-4-(4-Morpholinyl)-

  • Product code: SSC-004720
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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 1032758-44-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1032758-44-3 / (2-chloro-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methanol

(2-Chloro-7-methyl-4-morpholinothieno[3,2-d]pyrimidin-6-yl)methanol | Thieno[3,2-d]pyrimidine-6-methanol, 2-chloro-7-methyl-4-(4-morpholinyl)- | MFCD28167879

Standard CAS: 1032758-44-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1032758-44-3
Multi CAS
No
Molecular Formula
C12H14ClN3O2S
Molecular Weight
299.780000
Exact Mass
299.049526
SMILES
CC1=C(SC2=C1N=C(N=C2N3CCOCC3)Cl)CO
InChI
InChI=1S/C12H14ClN3O2S/c1-7-8(6-17)19-10-9(7)14-12(13)15-11(10)16-2-4-18-5-3-16/h17H,2-6H2,1H3
InChIKey
RHMSANMYURTZKH-UHFFFAOYSA-N
Synonyms
(2-Chloro-7-methyl-4-morpholinothieno[3,2-d]pyrimidin-6-yl)methanol Thieno[3,2-d]pyrimidine-6-methanol, 2-chloro-7-methyl-4-(4-morpholinyl)- MFCD28167879 (2-chloro-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methanol SCHEMBL1180546

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
9
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
1
Molar refractivity
76.12
TPSA
58.48

LogP / Solubility

WLOGP
1.98
MLOGP
1.76
XLogP3
1.9
Consensus LogP
1.88
Log S (ESOL)
-3.17
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.45
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.49
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.14

Drug-likeness / Medicinal Chemistry

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

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