AB01302728-01
TL;DR: AB01302728-01 (CAS 903189-84-4) is a chemical compound with molecular formula C21H24N2O4S and molecular weight 400.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-benzyl-4-(3-hydroxypropyl)-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-diene-3,5-dione
Also Known As: AB01302728-01, 1-benzyl-3-(3-hydroxypropyl)-6,6-dimethyl-1,5,6,8-tetrahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione, 1-benzyl-3-(3-hydroxypropyl)-6,6-dimethyl-5,6-dihydro-1H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(3H,8H)-dione
| Molecular Formula | C21H24N2O4S |
|---|---|
| Molecular Weight | 400.15 g/mol |
| LogP | 2.5067 |
| Topological Polar Surface Area | 73.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 400.1457 |
| Heavy Atoms | 28 |
| Complexity | 1125.2435 |
Chemical Identifiers
| CAS Number | 903189-84-4 |
|---|---|
| SMILES | CC1(CC2=C(CO1)SC3=C2C(=O)N(C(=O)N3CC4=CC=CC=C4)CCCO)C |
Product Overview
AB01302728-01 (CAS 903189-84-4), with molecular formula C21H24N2O4S and molecular weight 400.15 g/mol. IUPAC: 6-benzyl-4-(3-hydroxypropyl)-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-diene-3,5-dione.
Chemical Property Profile of AB01302728-01
Property Insights of AB01302728-01
The XLogP value of 2.5067 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB01302728-01. The TPSA of 73.46 Ų falls within the moderate polarity range, balancing permeability and solubility for AB01302728-01. Following Lipinski's Rule of Five, AB01302728-01 has 1 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 AB01302728-01?
The CAS number of AB01302728-01 is 903189-84-4.
What is the molecular formula of AB01302728-01?
The molecular formula of AB01302728-01 is C21H24N2O4S.
What is the molecular weight of AB01302728-01?
The molecular weight of AB01302728-01 is 400.15 g/mol.
Where can I buy AB01302728-01?
You can request a quote for AB01302728-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01302728-01?
Yes, KEHONG BIO provides custom synthesis services for AB01302728-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.