CDS1_004987
TL;DR: CDS1_004987 (CAS 424819-01-2) is a chemical compound with molecular formula C23H25NO7S and molecular weight 459.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dipropan-2-yl 5-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-3-methylthiophene-2,4-dicarboxylate
Also Known As: CDS1_004987, BIM-0036536.P001, dipropan-2-yl 5-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-3-methylthiophene-2,4-dicarboxylate, dipropan-2-yl 5-{[(2E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino}-3-methylthiophene-2,4-dicarboxylate, methylethyl 5-((2E)-3-(2H-benzo[3,4-d]1,3-dioxolan-5-yl)prop-2-enoylamino)-3-m ethyl-4-[(methylethyl)oxycarbonyl]thiophene-2-carboxylate
| Molecular Formula | C23H25NO7S |
|---|---|
| Molecular Weight | 459.14 g/mol |
| LogP | 4.56752 |
| Topological Polar Surface Area | 100.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 459.13516 |
| Heavy Atoms | 32 |
| Complexity | 1068.5375 |
Chemical Identifiers
| CAS Number | 424819-01-2 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)OC(C)C)NC(=O)/C=C/C2=CC3=C(C=C2)OCO3)C(=O)OC(C)C |
Product Overview
CDS1_004987 (CAS 424819-01-2), with molecular formula C23H25NO7S and molecular weight 459.14 g/mol. IUPAC: dipropan-2-yl 5-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-3-methylthiophene-2,4-dicarboxylate.
Chemical Property Profile of CDS1_004987
Property Insights of CDS1_004987
The XLogP value of 4.56752 indicates that CDS1_004987 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.16 Ų falls within the moderate polarity range, balancing permeability and solubility for CDS1_004987. Following Lipinski's Rule of Five, CDS1_004987 has 1 hydrogen bond donor(s) and 8 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 CDS1_004987?
The CAS number of CDS1_004987 is 424819-01-2.
What is the molecular formula of CDS1_004987?
The molecular formula of CDS1_004987 is C23H25NO7S.
What is the molecular weight of CDS1_004987?
The molecular weight of CDS1_004987 is 459.14 g/mol.
Where can I buy CDS1_004987?
You can request a quote for CDS1_004987 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CDS1_004987?
Yes, KEHONG BIO provides custom synthesis services for CDS1_004987 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.