AB00712107-01
TL;DR: AB00712107-01 (CAS 380455-75-4) is a chemical compound with molecular formula C29H30N2O6S and molecular weight 534.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[(E)-3-(4-butoxy-3-methoxyphenyl)-2-cyanoprop-2-enoyl]amino]-4-(4-methoxyphenyl)thiophene-3-carboxylate
Also Known As: AB00712107-01, ethyl 2-[(2E)-3-(4-butoxy-3-methoxyphenyl)-2-cyanoprop-2-enoylamino]-4-(4-meth oxyphenyl)thiophene-3-carboxylate, ethyl 2-[[(E)-3-(4-butoxy-3-methoxyphenyl)-2-cyanoprop-2-enoyl]amino]-4-(4-methoxyphenyl)thiophene-3-carboxylate, ethyl 2-[3-(4-butoxy-3-methoxyphenyl)-2-cyanoprop-2-enamido]-4-(4-methoxyphenyl)thiophene-3-carboxylate
| Molecular Formula | C29H30N2O6S |
|---|---|
| Molecular Weight | 534.18 g/mol |
| LogP | 6.33358 |
| Topological Polar Surface Area | 106.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 12 |
| Exact Mass | 534.18243 |
| Heavy Atoms | 38 |
| Complexity | 1338.0885 |
Chemical Identifiers
| CAS Number | 380455-75-4 |
|---|---|
| SMILES | CCCCOC1=C(C=C(C=C1)/C=C(\C#N)/C(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)OC)C(=O)OCC)OC |
Product Overview
AB00712107-01 (CAS 380455-75-4), with molecular formula C29H30N2O6S and molecular weight 534.18 g/mol. IUPAC: ethyl 2-[[(E)-3-(4-butoxy-3-methoxyphenyl)-2-cyanoprop-2-enoyl]amino]-4-(4-methoxyphenyl)thiophene-3-carboxylate.
Chemical Property Profile of AB00712107-01
Property Insights of AB00712107-01
The XLogP value of 6.33358 indicates that AB00712107-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.88 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00712107-01. Following Lipinski's Rule of Five, AB00712107-01 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00712107-01?
The CAS number of AB00712107-01 is 380455-75-4.
What is the molecular formula of AB00712107-01?
The molecular formula of AB00712107-01 is C29H30N2O6S.
What is the molecular weight of AB00712107-01?
The molecular weight of AB00712107-01 is 534.18 g/mol.
Where can I buy AB00712107-01?
You can request a quote for AB00712107-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00712107-01?
Yes, KEHONG BIO provides custom synthesis services for AB00712107-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.