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CAS 216699-35-3 5-Carboxy-X-rhodamine molecular structure lightbox
CAS RN: 216699-35-3

5-Carboxy-X-rhodamine

Product Availability

Choose a grade to view its available package options.

10 package records9 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250626 10mg In stock Shanghai, Guangdong Inquiry
Batchno.20260328 200mg In stock Shanghai Inquiry
Batchno.20250209 50mg In stock Shanghai, Chongqing Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251013 100mg In stock Inquiry
Batchno.20250701 25mg In stock Inquiry
Batchno.20250322 5mg Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250512 100mg In stock Shanghai Inquiry
Batchno.20250209 10mg In stock Shanghai Inquiry
Batchno.20250324 250mg In stock Shanghai, Shenzhen Inquiry
Batchno.20251018 50mg In stock Shanghai Inquiry
  • Product code: SSC-104018
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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 216699-35-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

216699-35-3 / 3-carboxy-4-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)benzoate

Standard CAS: 216699-35-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
216699-35-3
Multi CAS
No
Molecular Formula
C33H30N2O5
Molecular Weight
534.600000
Exact Mass
534.215472
SMILES
C1CC2=CC3=C(C4=C2N(C1)CCC4)OC5=C6CCC[N+]7=C6C(=CC5=C3C8=C(C=C(C=C8)C(=O)[O-])C(=O)O)CCC7
InChI
InChI=1S/C33H30N2O5/c36-32(37)20-9-10-21(24(17-20)33(38)39)27-25-15-18-5-1-11-34-13-3-7-22(28(18)34)30(25)40-31-23-8-4-14-35-12-2-6-19(29(23)35)16-26(27)31/h9-10,15-17H,1-8,11-14H2,(H-,36,37,38,39)
InChIKey
UNGMOMJDNDFGJG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
40
Aromatic heavy atom count
18
Fraction Csp3
0.36
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
148.02
TPSA
92.91

LogP / Solubility

WLOGP
2.18
MLOGP
1.96
XLogP3
4.4
Consensus LogP
2.85
Log S (ESOL)
-4.67
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.52
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.31
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.43

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6.5

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