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CAS 1751-97-9 BIPHENYL-3,3′-DICARBOXYLIC ACID DIMETHYL ESTER molecular structure lightbox
CAS RN: 1751-97-9

BIPHENYL-3,3′-DICARBOXYLIC ACID DIMETHYL ESTER

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250608 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-076770
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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: ＞97%
  • 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 1751-97-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

1751-97-9 / methyl 3-(3-methoxycarbonylphenyl)benzoate

Standard CAS: 1751-97-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1751-97-9
Multi CAS
No
Molecular Formula
C16H14O4
Molecular Weight
270.280000
Exact Mass
270.089209
SMILES
COC(=O)C1=CC=CC(=C1)C2=CC(=CC=C2)C(=O)OC
InChI
InChI=1S/C16H14O4/c1-19-15(17)13-7-3-5-11(9-13)12-6-4-8-14(10-12)16(18)20-2/h3-10H,1-2H3
InChIKey
BCRVAPBPPFMTNB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.12
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
74.56
TPSA
52.6

LogP / Solubility

WLOGP
2.93
MLOGP
2.58
XLogP3
3.3
Consensus LogP
2.94
Log S (ESOL)
-3.61
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.89
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.21
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.29

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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