ChemDiv2_004479
TL;DR: ChemDiv2_004479 (CAS 371129-74-7) is a chemical compound with molecular formula C21H22N2O4S2 and molecular weight 430.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-benzyl-3-oxo-12-propan-2-yl-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: ChemDiv2_004479, IDI1_003194, {[3-benzyl-4-oxo-6-(propan-2-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetic acid, 2-((3-benzyl-6-isopropyl-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetic acid, 2-[(3-BENZYL-6-ISOPROPYL-4-OXO-3,5,6,8-TETRAHYDRO-4H-PYRANO[4',3':4,5]THIENO[2,3-D]PYRIMIDIN-2-YL)SULFANYL]ACETIC ACID
| Molecular Formula | C21H22N2O4S2 |
|---|---|
| Molecular Weight | 430.10 g/mol |
| LogP | 3.7803 |
| Topological Polar Surface Area | 81.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 430.1021 |
| Heavy Atoms | 29 |
| Complexity | 1105.3069 |
Chemical Identifiers
| CAS Number | 371129-74-7 |
|---|---|
| SMILES | CC(C)C1CC2=C(CO1)SC3=C2C(=O)N(C(=N3)SCC(=O)O)CC4=CC=CC=C4 |
Product Overview
ChemDiv2_004479 (CAS 371129-74-7), with molecular formula C21H22N2O4S2 and molecular weight 430.10 g/mol. IUPAC: 2-[(4-benzyl-3-oxo-12-propan-2-yl-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 ChemDiv2_004479
Property Insights of ChemDiv2_004479
The XLogP value of 3.7803 indicates that ChemDiv2_004479 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 ChemDiv2_004479. Following Lipinski's Rule of Five, ChemDiv2_004479 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 ChemDiv2_004479?
The CAS number of ChemDiv2_004479 is 371129-74-7.
What is the molecular formula of ChemDiv2_004479?
The molecular formula of ChemDiv2_004479 is C21H22N2O4S2.
What is the molecular weight of ChemDiv2_004479?
The molecular weight of ChemDiv2_004479 is 430.10 g/mol.
Where can I buy ChemDiv2_004479?
You can request a quote for ChemDiv2_004479 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_004479?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_004479 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.