UPCMLD0ENAT5890152:001
TL;DR: UPCMLD0ENAT5890152:001 (CAS 690642-77-4) is a chemical compound with molecular formula C25H31N3O3S2 and molecular weight 485.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]sulfanyl-4-prop-2-enyl-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one
Also Known As: UPCMLD0ENAT5890152:001, F3394-0689, 5-({2-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoethyl}sulfanyl)-4-(prop-2-en-1-yl)-8-thia-4,6-diazatricyclo[7.5.0.0^{2,7}]tetradeca-1(9),2(7),5-trien-3-one, 3-allyl-2-((2-(1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl)thio)-6,7,8,9-tetrahydro-3H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one, 4-allyl-5-{2-[1-(2-methoxyethyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethylthio}-8-thia-4,6-diazatricyclo[7.5.0.0(2),]tetradeca-1(9),2(7),5-trien-3-one
| Molecular Formula | C25H31N3O3S2 |
|---|---|
| Molecular Weight | 485.18 g/mol |
| LogP | 4.95264 |
| Topological Polar Surface Area | 66.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 485.1807 |
| Heavy Atoms | 33 |
| Complexity | 1252.2815 |
Chemical Identifiers
| CAS Number | 690642-77-4 |
|---|---|
| SMILES | CC1=CC(=C(N1CCOC)C)C(=O)CSC2=NC3=C(C4=C(S3)CCCCC4)C(=O)N2CC=C |
Product Overview
UPCMLD0ENAT5890152:001 (CAS 690642-77-4), with molecular formula C25H31N3O3S2 and molecular weight 485.18 g/mol. IUPAC: 5-[2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]sulfanyl-4-prop-2-enyl-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one.
Chemical Property Profile of UPCMLD0ENAT5890152:001
Property Insights of UPCMLD0ENAT5890152:001
The XLogP value of 4.95264 indicates that UPCMLD0ENAT5890152:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.12 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5890152:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5890152:001 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 UPCMLD0ENAT5890152:001?
The CAS number of UPCMLD0ENAT5890152:001 is 690642-77-4.
What is the molecular formula of UPCMLD0ENAT5890152:001?
The molecular formula of UPCMLD0ENAT5890152:001 is C25H31N3O3S2.
What is the molecular weight of UPCMLD0ENAT5890152:001?
The molecular weight of UPCMLD0ENAT5890152:001 is 485.18 g/mol.
Where can I buy UPCMLD0ENAT5890152:001?
You can request a quote for UPCMLD0ENAT5890152:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5890152:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5890152:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.