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CAS 99907-84-3 2-Amino-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid molecular structure lightbox
CAS RN: 99907-84-3

2-Amino-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250727 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-213419
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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 99907-84-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

99907-84-3 / 2-amino-5,8-dimethoxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid

Standard CAS: 99907-84-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
99907-84-3
Multi CAS
No
Molecular Formula
C13H17NO4
Molecular Weight
251.280000
Exact Mass
251.115758
SMILES
COC1=C2CCC(CC2=C(C=C1)OC)(C(=O)O)N
InChI
InChI=1S/C13H17NO4/c1-17-10-3-4-11(18-2)9-7-13(14,12(15)16)6-5-8(9)10/h3-4H,5-7,14H2,1-2H3,(H,15,16)
InChIKey
SVFFDKYNFVUNGU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
66.13
TPSA
81.78

LogP / Solubility

WLOGP
0.97
MLOGP
0.86
XLogP3
-1.3
Consensus LogP
0.18
Log S (ESOL)
-2.06
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.32
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.46
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
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
Yes
Synthetic Accessibility
2

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