BAS 01095087
TL;DR: BAS 01095087 (CAS 336176-29-5) is a chemical compound with molecular formula C16H16ClN5O and molecular weight 329.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-chloro-4-methylphenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]imidazol-4-ol
Also Known As: BAS 01095087, AB00132375-12, 1-(3-chloro-4-methylphenyl)-2-[(4,6-dimethyl-2-pyrimidinyl)amino]-1H-imidazol-5-ol, 1-(3-chloro-4-methylphenyl)-2-((4,6-dimethylpyrimidin-2-yl)amino)-1H-imidazol-5-ol, 1-(3-chloro-4-methylphenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-1H-imidazol-5-ol
| Molecular Formula | C16H16ClN5O |
|---|---|
| Molecular Weight | 329.10 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 75.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 329.10434 |
| Heavy Atoms | 23 |
| Complexity | 391.0 |
Chemical Identifiers
| CAS Number | 336176-29-5 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N2C(=CN=C2NC3=NC(=CC(=N3)C)C)O)Cl |
| InChIKey | OXJCWLLYGNSLBU-UHFFFAOYSA-N |
Product Overview
BAS 01095087 (CAS 336176-29-5), with molecular formula C16H16ClN5O and molecular weight 329.10 g/mol. IUPAC: 3-(3-chloro-4-methylphenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]imidazol-4-ol.
Chemical Property Profile of BAS 01095087
Property Insights of BAS 01095087
The XLogP value of 3.9 indicates that BAS 01095087 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.9 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01095087. Following Lipinski's Rule of Five, BAS 01095087 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 01095087?
The CAS number of BAS 01095087 is 336176-29-5.
What is the molecular formula of BAS 01095087?
The molecular formula of BAS 01095087 is C16H16ClN5O.
What is the molecular weight of BAS 01095087?
The molecular weight of BAS 01095087 is 329.10 g/mol.
Where can I buy BAS 01095087?
You can request a quote for BAS 01095087 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01095087?
Yes, KEHONG BIO provides custom synthesis services for BAS 01095087 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.