ChemDiv1_005270
TL;DR: ChemDiv1_005270 (CAS 315239-36-2) is a chemical compound with molecular formula C19H18N2O3S2 and molecular weight 386.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(11-methyl-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanylmethyl]benzoate
Also Known As: ChemDiv1_005270, AF-399/15128759, F0844-0017, methyl 4-(((3-methyl-4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)methyl)benzoate, methyl 4-[({11-methyl-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-10-yl}sulfanyl)methyl]benzoate
| Molecular Formula | C19H18N2O3S2 |
|---|---|
| Molecular Weight | 386.08 g/mol |
| LogP | 3.5626 |
| Topological Polar Surface Area | 61.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 386.0759 |
| Heavy Atoms | 26 |
| Complexity | 1051.3169 |
Chemical Identifiers
| CAS Number | 315239-36-2 |
|---|---|
| SMILES | CN1C(=O)C2=C(N=C1SCC3=CC=C(C=C3)C(=O)OC)SC4=C2CCC4 |
Product Overview
ChemDiv1_005270 (CAS 315239-36-2), with molecular formula C19H18N2O3S2 and molecular weight 386.08 g/mol. IUPAC: methyl 4-[(11-methyl-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanylmethyl]benzoate.
Chemical Property Profile of ChemDiv1_005270
Property Insights of ChemDiv1_005270
The XLogP value of 3.5626 indicates that ChemDiv1_005270 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.19 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_005270. Following Lipinski's Rule of Five, ChemDiv1_005270 has 0 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_005270?
The CAS number of ChemDiv1_005270 is 315239-36-2.
What is the molecular formula of ChemDiv1_005270?
The molecular formula of ChemDiv1_005270 is C19H18N2O3S2.
What is the molecular weight of ChemDiv1_005270?
The molecular weight of ChemDiv1_005270 is 386.08 g/mol.
Where can I buy ChemDiv1_005270?
You can request a quote for ChemDiv1_005270 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_005270?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_005270 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.