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CAS 1246509-59-0 (R)-Methyl 4-aminochroman-6-carboxylate hydrochloride molecular structure lightbox
CAS RN: 1246509-59-0

(R)-Methyl 4-aminochroman-6-carboxylate hydrochloride

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250418 50mg / 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-028679
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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: 0.25g
  • 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 1246509-59-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

1246509-59-0 / methyl (4R)-4-amino-3,4-dihydro-2H-chromene-6-carboxylate;hydrochloride

Standard CAS: 1246509-59-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1246509-59-0
Multi CAS
No
Molecular Formula
C11H14ClNO3
Molecular Weight
243.680000
Exact Mass
243.066221
SMILES
COC(=O)C1=CC2=C(C=C1)OCC[C@H]2N.Cl
InChI
InChI=1S/C11H13NO3.ClH/c1-14-11(13)7-2-3-10-8(6-7)9(12)4-5-15-10;/h2-3,6,9H,4-5,12H2,1H3;1H/t9-;/m1./s1
InChIKey
UCJZSDKGVDIOQR-SBSPUUFOSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
62.07
TPSA
61.55

LogP / Solubility

WLOGP
1.68
MLOGP
1.48
XLogP3
1.68
Consensus LogP
1.61
Log S (ESOL)
-2.62
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.77
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.76
Class (SILICOS-IT)
Moderately 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)
-3.02

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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