CAS RN: 913952-59-7
6-chloro-2-phenyl-pyrimidine-4-carboxylic acid
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251206 | 100mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-204435
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: 5g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
913952-59-7 / 6-chloro-2-phenylpyrimidine-4-carboxylic acid
Basic Information
CAS
913952-59-7
Multi CAS
No
Molecular Formula
C11H7CLN2O2
Molecular Weight
234.640000
Exact Mass
234.019605
InChI
InChI=1S/C11H7ClN2O2/c12-9-6-8(11(15)16)13-10(14-9)7-4-2-1-3-5-7/h1-6H,(H,15,16)
InChIKey
OVZANHVNKPKFNF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
59.44
TPSA
63.08
LogP / Solubility
WLOGP
2.5
MLOGP
2.2
XLogP3
3.1
Consensus LogP
2.6
Log S (ESOL)
-3.29
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.29
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.5
Class (SILICOS-IT)
Poorly 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)
-2.38
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
(S)-tert-butyl 2-(2,2,2-trifluoroacetyl)pyrrolidine-1-carboxylate
- CAS RN: 913979-70-1
- Product Code: SSC-204439
-
2-Pyrrolidinecarbonitrile, 1-(2-aminoacetyl)-, hydrochloride (1:1), (2S)-
- CAS RN: 913980-23-1
- Product Code: SSC-204440
-
3-IODO-5-METHOXY-1H-PYRROLO[3,2-B]PYRIDINE
- CAS RN: 913983-30-9
- Product Code: starshine_CAS913983-30-9
- Purity/Analytical method: >99.0%
-
3-IODO-5-METHOXY-1H-PYRROLO[2,3-B]PYRIDINE
- CAS RN: 913983-33-2
- Product Code: starshine_CAS913983-33-2
- Purity/Analytical method: >99.0%
-
4-(difluoroMethoxy)-3-hydroxybenzoic acid
- CAS RN: 913985-07-6
- Product Code: starshine_CAS913985-07-6
- Purity/Analytical method: >99.0%
-
VVOOIFQERLCXQE-SIZQZZMJSA-N
- CAS RN: 914082-74-9
- Product Code: starshine_CAS914082-74-9
- Purity/Analytical method: >99.0%
![CAS 913983-30-9 3-IODO-5-METHOXY-1H-PYRROLO[3,2-B]PYRIDINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/913983-30-9.gif)
![CAS 913983-33-2 3-IODO-5-METHOXY-1H-PYRROLO[2,3-B]PYRIDINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/913983-33-2.gif)
