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CAS 1187830-77-8 5,6,7,8-Tetrahydro-4-methoxypyrido[3,4-d]pyrimidine hydrochloride molecular structure lightbox
CAS RN: 1187830-77-8

5,6,7,8-Tetrahydro-4-methoxypyrido[3,4-d]pyrimidine hydrochloride

  • Product code: SSC-018757
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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: 0.1g, 0.25g, 1g, 5g
  • 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 1187830-77-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 0 Out of Stock Beijing Inquiry
0.25g >95% 0 Out of Stock Hong Kong Inquiry
1g >95% 0 Out of Stock Shanghai Inquiry
5g >95% 0 Out of Stock Shenzhen Inquiry

1187830-77-8 / 4-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride

4-Methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine hydrochloride | MFCD11846181 | 5,6,7,8-Tetrahydro-4-methoxypyrido[3,4-d]pyrimidine HCl

Standard CAS: 1187830-77-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1187830-77-8
Multi CAS
Yes
Molecular Formula
C8H12ClN3O
Molecular Weight
201.650000
Exact Mass
201.066890
SMILES
COC1=NC=NC2=C1CCNC2.Cl
InChI
InChI=1S/C8H11N3O.ClH/c1-12-8-6-2-3-9-4-7(6)10-5-11-8;/h5,9H,2-4H2,1H3;1H
InChIKey
QDDZJQFJFPYUSQ-UHFFFAOYSA-N
Synonyms
4-Methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine hydrochloride MFCD11846181 5,6,7,8-Tetrahydro-4-methoxypyrido[3,4-d]pyrimidine HCl 5,6,7,8-Tetrahydro-4-methoxypyrido[3,4-d]pyrimidine hydrochloride 4-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
51.24
TPSA
47.04

LogP / Solubility

WLOGP
0.55
MLOGP
0.49
XLogP3
0.55
Consensus LogP
0.53
Log S (ESOL)
-1.71
Class (ESOL)
Soluble
Log S (Ali)
-1.61
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.55
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)
-3.56

Drug-likeness / Medicinal Chemistry

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

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