BAS 01858772
TL;DR: BAS 01858772 (CAS 314770-29-1) is a chemical compound with molecular formula C23H27N5O2S and molecular weight 437.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(2-methylbutan-2-yl)-N-[(Z)-1-(3-nitrophenyl)ethylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
Also Known As: BAS 01858772, (Z)-4-(2-(1-(3-nitrophenyl)ethylidene)hydrazinyl)-6-(tert-pentyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine, [(1Z)-2-(3-nitrophenyl)-1-azaprop-1-enyl][6-(1,1-dimethylpropyl)(5,6,7,8-tetra hydrobenzo[b]thiopheno[3,2-e]pyrimidin-4-yl)]amine, 1-(3-NITROPHENYL)-1-ETHANONE 1-[6-(TERT-PENTYL)-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4-YL]HYDRAZONE, 6-(2-methylbutan-2-yl)-N-[(Z)-1-(3-nitrophenyl)ethylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
| Molecular Formula | C23H27N5O2S |
|---|---|
| Molecular Weight | 437.19 g/mol |
| LogP | 5.9767 |
| Topological Polar Surface Area | 93.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 437.18854 |
| Heavy Atoms | 31 |
| Complexity | 1167.9833 |
Chemical Identifiers
| CAS Number | 314770-29-1 |
|---|---|
| SMILES | CCC(C)(C)C1CCC2=C(C1)C3=C(N=CN=C3S2)N/N=C(/C)\C4=CC(=CC=C4)[N+](=O)[O-] |
Product Overview
BAS 01858772 (CAS 314770-29-1), with molecular formula C23H27N5O2S and molecular weight 437.19 g/mol. IUPAC: 6-(2-methylbutan-2-yl)-N-[(Z)-1-(3-nitrophenyl)ethylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine.
Chemical Property Profile of BAS 01858772
Property Insights of BAS 01858772
The XLogP value of 5.9767 indicates that BAS 01858772 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.31 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01858772. Following Lipinski's Rule of Five, BAS 01858772 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 01858772?
The CAS number of BAS 01858772 is 314770-29-1.
What is the molecular formula of BAS 01858772?
The molecular formula of BAS 01858772 is C23H27N5O2S.
What is the molecular weight of BAS 01858772?
The molecular weight of BAS 01858772 is 437.19 g/mol.
Where can I buy BAS 01858772?
You can request a quote for BAS 01858772 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01858772?
Yes, KEHONG BIO provides custom synthesis services for BAS 01858772 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.