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CAS 1032758-45-4 Thieno[3,2-d]pyriMidine, 6-(broMoMethyl)-2-chloro-7-Methyl-4-(4-Morpholinyl)- molecular structure lightbox
CAS RN: 1032758-45-4

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

  • Product code: SSC-004721
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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 1032758-45-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1032758-45-4 / 4-[6-(bromomethyl)-2-chloro-7-methylthieno[3,2-d]pyrimidin-4-yl]morpholine

4-(6-(Bromomethyl)-2-chloro-7-methylthieno[3,2-d]pyrimidin-4-yl)morpholine | Thieno[3,2-d]pyrimidine, 6-(bromomethyl)-2-chloro-7-methyl-4-(4-morpholinyl)- | 4-[6-(bromomethyl)-2-chloro-7-methylthieno[3,2-d]pyrimidin-4-yl]morpholine

Standard CAS: 1032758-45-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1032758-45-4
Multi CAS
No
Molecular Formula
C12H13BrClN3OS
Molecular Weight
362.670000
Exact Mass
360.965120
SMILES
CC1=C(SC2=C1N=C(N=C2N3CCOCC3)Cl)CBr
InChI
InChI=1S/C12H13BrClN3OS/c1-7-8(6-13)19-10-9(7)15-12(14)16-11(10)17-2-4-18-5-3-17/h2-6H2,1H3
InChIKey
VTYFGCCALLEYKP-UHFFFAOYSA-N
Synonyms
4-(6-(Bromomethyl)-2-chloro-7-methylthieno[3,2-d]pyrimidin-4-yl)morpholine Thieno[3,2-d]pyrimidine, 6-(bromomethyl)-2-chloro-7-methyl-4-(4-morpholinyl)- 4-[6-(bromomethyl)-2-chloro-7-methylthieno[3,2-d]pyrimidin-4-yl]morpholine MFCD28167880 C12H13BrClN3OS

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
9
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
82.83
TPSA
38.25

LogP / Solubility

WLOGP
3.38
MLOGP
3
XLogP3
3.3
Consensus LogP
3.23
Log S (ESOL)
-4.44
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.98
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.07
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.53

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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