![CAS 19741-14-1 4-[N-(2,4-DIAMINO-6-PTERIDINYLMETHYL)-N-METHYLAMINO] BENZOIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/19741-14-1.gif)
CAS RN: 19741-14-1
4-[N-(2,4-DIAMINO-6-PTERIDINYLMETHYL)-N-METHYLAMINO] BENZOIC ACID
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: SSC-093103
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: 0.1g
- 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 |
|---|---|---|---|---|
| 0.1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
19741-14-1 / 4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoic acid
Basic Information
CAS
19741-14-1
Multi CAS
No
Molecular Formula
C15H15N7O2
Molecular Weight
325.330000
Exact Mass
325.128723
SMILES
CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)O
InChI
InChI=1S/C15H15N7O2/c1-22(10-4-2-8(3-5-10)14(23)24)7-9-6-18-13-11(19-9)12(16)20-15(17)21-13/h2-6H,7H2,1H3,(H,23,24)(H4,16,17,18,20,21)
InChIKey
LWCXZSDKANNOAR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
16
Fraction Csp3
0.13
Rotatable bonds
4
H-bond acceptors
8
H-bond donors
3
Molar refractivity
89.46
TPSA
144.14
LogP / Solubility
WLOGP
0.92
MLOGP
0.82
XLogP3
-1.1
Consensus LogP
0.21
Log S (ESOL)
-2.67
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.89
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.02
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.05
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
Safety & Transport
Pictogram(s)
Acute Toxic
Irritant
Health Hazard
Signal
Danger
GHS Hazard Statements
H301 (95%): Toxic if swallowed [Danger Acute toxicity, oral]
H315 (95%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (95%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (90%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
H360 (90%): May damage fertility or the unborn child [Danger Reproductive toxicity]
Precautionary Statement Codes
P203, P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Customers Also Viewed
-
![CAS 19741-30-1 2-(1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraen-8-yl)acetic acid molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
2-(1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraen-8-yl)acetic acid
- CAS RN: 19741-30-1
- Product Code: SSC-093104
-
3,3′-DICHLORO DIPHENYL DISULFIDE
- CAS RN: 19742-92-8
- Product Code: starshine_CAS19742-92-8
- Purity/Analytical method: >99.0%
-
-
AC-LEU-PNA
- CAS RN: 19746-40-8
- Product Code: starshine_CAS19746-40-8
- Purity/Analytical method: >99.0%
-
8-Ethoxy-5-nitroquinoline
- CAS RN: 19746-57-7
- Product Code: starshine_CAS19746-57-7
- Purity/Analytical method: >99.0%
-
![CAS 19741-30-1 2-(1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraen-8-yl)acetic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/19741-30-1.gif)
