C18H27N3O4S
TL;DR: C18H27N3O4S (CAS 903584-95-2) is a chemical compound with molecular formula C18H27N3O4S and molecular weight 381.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[3-(dimethylamino)propyl]-4-(2-hydroxyethyl)-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: 1-(3-(dimethylamino)propyl)-3-(2-hydroxyethyl)-6,6-dimethyl-5,6-dihydro-1H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(3H,8H)-dione, 1-[3-(dimethylamino)propyl]-3-(2-hydroxyethyl)-6,6-dimethyl-1,5,6,8-tetrahydro-2H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione
| Molecular Formula | C18H27N3O4S |
|---|---|
| Molecular Weight | 381.17 g/mol |
| LogP | 1.02 |
| Topological Polar Surface Area | 76.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 381.17224 |
| Heavy Atoms | 26 |
| Complexity | 923.1299 |
Chemical Identifiers
| CAS Number | 903584-95-2 |
|---|---|
| SMILES | CC1(CC2=C(CO1)SC3=C2C(=O)N(C(=O)N3CCCN(C)C)CCO)C |
Product Overview
C18H27N3O4S (CAS 903584-95-2), with molecular formula C18H27N3O4S and molecular weight 381.17 g/mol. IUPAC: 6-[3-(dimethylamino)propyl]-4-(2-hydroxyethyl)-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 C18H27N3O4S
Property Insights of C18H27N3O4S
The XLogP value of 1.02 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C18H27N3O4S. The TPSA of 76.7 Ų falls within the moderate polarity range, balancing permeability and solubility for C18H27N3O4S. Following Lipinski's Rule of Five, C18H27N3O4S 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 C18H27N3O4S?
The CAS number of C18H27N3O4S is 903584-95-2.
What is the molecular formula of C18H27N3O4S?
The molecular formula of C18H27N3O4S is C18H27N3O4S.
What is the molecular weight of C18H27N3O4S?
The molecular weight of C18H27N3O4S is 381.17 g/mol.
Where can I buy C18H27N3O4S?
You can request a quote for C18H27N3O4S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C18H27N3O4S?
Yes, KEHONG BIO provides custom synthesis services for C18H27N3O4S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.