BIM-0039991.P001
TL;DR: BIM-0039991.P001 (CAS 423749-38-6) is a chemical compound with molecular formula C20H20N4O3S2 and molecular weight 428.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(4-methoxyphenyl)-12,12-dimethyl-3-methylsulfanyl-13-oxa-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-8-one
Also Known As: BIM-0039991.P001, AB00101813-01, 4-(4-methoxyphenyl)-7,7-dimethyl-1-(methylsulfanyl)-6,9-dihydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one, 4-(4-methoxyphenyl)-7,7-dimethyl-1-(methylthio)-6,7-dihydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(9H)-one, 7-(4-Methoxyphenyl)-12,12-dimethyl-3-methylsulfanyl-13-oxa-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-8-one
| Molecular Formula | C20H20N4O3S2 |
|---|---|
| Molecular Weight | 428.10 g/mol |
| LogP | 3.6767 |
| Topological Polar Surface Area | 70.65 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 428.0977 |
| Heavy Atoms | 29 |
| Complexity | 1301.7458 |
Chemical Identifiers
| CAS Number | 423749-38-6 |
|---|---|
| SMILES | CC1(CC2=C(CO1)SC3=C2C(=O)N(C4=NN=C(N34)SC)C5=CC=C(C=C5)OC)C |
Product Overview
BIM-0039991.P001 (CAS 423749-38-6), with molecular formula C20H20N4O3S2 and molecular weight 428.10 g/mol. IUPAC: 7-(4-methoxyphenyl)-12,12-dimethyl-3-methylsulfanyl-13-oxa-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-8-one.
Chemical Property Profile of BIM-0039991.P001
Property Insights of BIM-0039991.P001
The XLogP value of 3.6767 indicates that BIM-0039991.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.65 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0039991.P001. Following Lipinski's Rule of Five, BIM-0039991.P001 has 0 hydrogen bond donor(s) and 7 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 BIM-0039991.P001?
The CAS number of BIM-0039991.P001 is 423749-38-6.
What is the molecular formula of BIM-0039991.P001?
The molecular formula of BIM-0039991.P001 is C20H20N4O3S2.
What is the molecular weight of BIM-0039991.P001?
The molecular weight of BIM-0039991.P001 is 428.10 g/mol.
Where can I buy BIM-0039991.P001?
You can request a quote for BIM-0039991.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0039991.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0039991.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.