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CAS 10212-03-0 3-Bromophenyl)diphenylphosphine molecular structure lightbox
CAS RN: 10212-03-0

3-Bromophenyl)diphenylphosphine

  • Product code: SSC-003380
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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 10212-03-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

10212-03-0 / 2-(3-methoxyphenyl)-1,1-dioxothieno[3,2-e]thiazine-6-sulfonamide

(3-BROMOPHENYL)DIPHENYLPHOSPHANE | SCHEMBL258733 | (3-bromophenyl)diphenylphosphine

Standard CAS: 10212-03-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
10212-03-0
Multi CAS
Yes
Molecular Formula
C13H12N2O5S3
Molecular Weight
372.400000
Exact Mass
371.990835
SMILES
COC1=CC=CC(=C1)N2C=CC3=C(S2(=O)=O)SC(=C3)S(=O)(=O)N
InChI
InChI=1S/C13H12N2O5S3/c1-20-11-4-2-3-10(8-11)15-6-5-9-7-12(22(14,16)17)21-13(9)23(15,18)19/h2-8H,1H3,(H2,14,16,17)
InChIKey
FBBLOSCXOZYUSS-UHFFFAOYSA-N
Synonyms
(3-BROMOPHENYL)DIPHENYLPHOSPHANE SCHEMBL258733 (3-bromophenyl)diphenylphosphine OBWURDWSVVRXLE-UHFFFAOYSA-N SY464273

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
11
Fraction Csp3
0.08
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
1
Molar refractivity
87.39
TPSA
106.77

LogP / Solubility

WLOGP
1.58
MLOGP
1.41
XLogP3
1.6
Consensus LogP
1.53
Log S (ESOL)
-3.3
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.76
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.76
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.87

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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