BAS 10230946
TL;DR: BAS 10230946 (CAS 573669-91-7) is a chemical compound with molecular formula C21H18ClN3O2S and molecular weight 411.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
14-[(4-chlorophenyl)methyl]-5,5-dimethyl-6-oxa-17-thia-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),9,11(16),12-pentaen-15-one
Also Known As: BAS 10230946, 3-(4-chlorobenzyl)-8,8-dimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one, 3-(4-chlorobenzyl)-8,8-dimethyl-7,8-dihydro-3H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(10H)-one
| Molecular Formula | C21H18ClN3O2S |
|---|---|
| Molecular Weight | 411.08 g/mol |
| LogP | 4.5592 |
| Topological Polar Surface Area | 57.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 411.0808 |
| Heavy Atoms | 28 |
| Complexity | 1275.0337 |
Chemical Identifiers
| CAS Number | 573669-91-7 |
|---|---|
| SMILES | CC1(CC2=NC3=C(C=C2CO1)C4=C(S3)C(=O)N(C=N4)CC5=CC=C(C=C5)Cl)C |
Product Overview
BAS 10230946 (CAS 573669-91-7), with molecular formula C21H18ClN3O2S and molecular weight 411.08 g/mol. IUPAC: 14-[(4-chlorophenyl)methyl]-5,5-dimethyl-6-oxa-17-thia-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),9,11(16),12-pentaen-15-one.
Chemical Property Profile of BAS 10230946
Property Insights of BAS 10230946
The XLogP value of 4.5592 indicates that BAS 10230946 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.01 Ų, BAS 10230946 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 10230946 has 0 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 10230946?
The CAS number of BAS 10230946 is 573669-91-7.
What is the molecular formula of BAS 10230946?
The molecular formula of BAS 10230946 is C21H18ClN3O2S.
What is the molecular weight of BAS 10230946?
The molecular weight of BAS 10230946 is 411.08 g/mol.
Where can I buy BAS 10230946?
You can request a quote for BAS 10230946 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 10230946?
Yes, KEHONG BIO provides custom synthesis services for BAS 10230946 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.