BAS 00434337
TL;DR: BAS 00434337 (CAS 328071-40-5) is a chemical compound with molecular formula C16H14BrN5O2 and molecular weight 387.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-3-[(Z)-2-(5-bromo-2-methoxyphenyl)-1-cyanoethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile
Also Known As: BAS 00434337, AB00093285-01, A1099/0051645, 5-amino-3-[(Z)-2-(5-bromo-2-methoxyphenyl)-1-cyanoethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile, 5-Amino-3-(2-(5-bromo-2-methoxyphenyl)-1-cyanovinyl)-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
| Molecular Formula | C16H14BrN5O2 |
|---|---|
| Molecular Weight | 387.03 g/mol |
| LogP | 2.16456 |
| Topological Polar Surface Area | 120.88 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 387.03308 |
| Heavy Atoms | 24 |
| Complexity | 873.81366 |
Chemical Identifiers
| CAS Number | 328071-40-5 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)Br)/C=C(\C#N)/C2=NN(C(=C2C#N)N)CCO |
Product Overview
BAS 00434337 (CAS 328071-40-5), with molecular formula C16H14BrN5O2 and molecular weight 387.03 g/mol. IUPAC: 5-amino-3-[(Z)-2-(5-bromo-2-methoxyphenyl)-1-cyanoethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile.
Chemical Property Profile of BAS 00434337
Property Insights of BAS 00434337
The XLogP value of 2.16456 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00434337. The TPSA of 120.88 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00434337. Following Lipinski's Rule of Five, BAS 00434337 has 2 hydrogen bond donor(s) and 6 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 00434337?
The CAS number of BAS 00434337 is 328071-40-5.
What is the molecular formula of BAS 00434337?
The molecular formula of BAS 00434337 is C16H14BrN5O2.
What is the molecular weight of BAS 00434337?
The molecular weight of BAS 00434337 is 387.03 g/mol.
Where can I buy BAS 00434337?
You can request a quote for BAS 00434337 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00434337?
Yes, KEHONG BIO provides custom synthesis services for BAS 00434337 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.