ChemDiv1_003806
TL;DR: ChemDiv1_003806 (CAS 303089-14-7) is a chemical compound with molecular formula C19H18N2O4S2 and molecular weight 402.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(12,12-dimethyl-3-oxo-4-phenyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl)sulfanyl]acetic acid
Also Known As: ChemDiv1_003806, BAS 00288834, AE-848/31941051, [(6,6-dimethyl-4-oxo-3-phenyl-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetic acid, 2-[(12,12-Dimethyl-3-oxo-4-phenyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl)sulfanyl]acetic acid
| Molecular Formula | C19H18N2O4S2 |
|---|---|
| Molecular Weight | 402.07 g/mol |
| LogP | 3.4752 |
| Topological Polar Surface Area | 81.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 402.0708 |
| Heavy Atoms | 27 |
| Complexity | 1086.523 |
Chemical Identifiers
| CAS Number | 303089-14-7 |
|---|---|
| SMILES | CC1(CC2=C(CO1)SC3=C2C(=O)N(C(=N3)SCC(=O)O)C4=CC=CC=C4)C |
Product Overview
ChemDiv1_003806 (CAS 303089-14-7), with molecular formula C19H18N2O4S2 and molecular weight 402.07 g/mol. IUPAC: 2-[(12,12-dimethyl-3-oxo-4-phenyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl)sulfanyl]acetic acid.
Chemical Property Profile of ChemDiv1_003806
Property Insights of ChemDiv1_003806
The XLogP value of 3.4752 indicates that ChemDiv1_003806 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.42 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_003806. Following Lipinski's Rule of Five, ChemDiv1_003806 has 1 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 ChemDiv1_003806?
The CAS number of ChemDiv1_003806 is 303089-14-7.
What is the molecular formula of ChemDiv1_003806?
The molecular formula of ChemDiv1_003806 is C19H18N2O4S2.
What is the molecular weight of ChemDiv1_003806?
The molecular weight of ChemDiv1_003806 is 402.07 g/mol.
Where can I buy ChemDiv1_003806?
You can request a quote for ChemDiv1_003806 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_003806?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_003806 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.