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CAS 345958-22-7 DI-FMOC-3,4-DIAMINOBENZOIC ACID molecular structure lightbox
CAS RN: 345958-22-7

DI-FMOC-3,4-DIAMINOBENZOIC ACID

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251025 100mg / 250mg / 1g / 5g / 10g Out of stock 8-10 business days Inquiry
  • Product code: SSC-141114
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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, 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 345958-22-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

345958-22-7 / 3,4-bis(9H-fluoren-9-ylmethoxycarbonylamino)benzoic acid

Standard CAS: 345958-22-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
345958-22-7
Multi CAS
No
Molecular Formula
C37H28N2O6
Molecular Weight
596.600000
Exact Mass
596.194737
InChI
InChI=1S/C37H28N2O6/c40-35(41)22-17-18-33(38-36(42)44-20-31-27-13-5-1-9-23(27)24-10-2-6-14-28(24)31)34(19-22)39-37(43)45-21-32-29-15-7-3-11-25(29)26-12-4-8-16-30(26)32/h1-19,31-32H,20-21H2,(H,38,42)(H,39,43)(H,40,41)
InChIKey
SULLCIOIUDBVRI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
45
Aromatic heavy atom count
30
Fraction Csp3
0.11
Rotatable bonds
7
H-bond acceptors
5
H-bond donors
3
Molar refractivity
170.78
TPSA
113.96

LogP / Solubility

WLOGP
8.11
MLOGP
7.18
XLogP3
6.8
Consensus LogP
7.36
Log S (ESOL)
-8.68
Class (ESOL)
Insoluble
Log S (Ali)
-10.31
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.11
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.6

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
6

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